Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.

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1,771 – 1,785 of 158,382 results

1,771

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2-Nitrofluorene, 98%

CAS: 607-57-8 Molecular Formula: C13H9NO2 Molecular Weight (g/mol): 211.22 MDL Number: MFCD00001117 InChI Key: XFOHWECQTFIEIX-UHFFFAOYSA-N Synonym: 2-nitrofluorene,nitrofluorene,9h-fluorene, 2-nitro,fluorene, 2-nitro,unii-191ll4u4gz,ccris 1189,dsstox_cid_971,dsstox_rid_75898,dsstox_gsid_20971 PubChem CID: 11831 ChEBI: CHEBI:1224 IUPAC Name: 2-nitro-9H-fluorene SMILES: [O-][N+](=O)C1=CC=C2C(CC3=CC=CC=C23)=C1

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PubChem CID	11831
CAS	607-57-8
Molecular Weight (g/mol)	211.22
ChEBI	CHEBI:1224
MDL Number	MFCD00001117
SMILES	[O-][N+](=O)C1=CC=C2C(CC3=CC=CC=C23)=C1
Synonym	2-nitrofluorene,nitrofluorene,9h-fluorene, 2-nitro,fluorene, 2-nitro,unii-191ll4u4gz,ccris 1189,dsstox_cid_971,dsstox_rid_75898,dsstox_gsid_20971
IUPAC Name	2-nitro-9H-fluorene
InChI Key	XFOHWECQTFIEIX-UHFFFAOYSA-N
Molecular Formula	C13H9NO2

1,772

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N-Fmoc-L-alanine, 95%

CAS: 35661-39-3 Molecular Formula: C18H17NO4 Molecular Weight (g/mol): 311.337 MDL Number: MFCD00037139 InChI Key: QWXZOFZKSQXPDC-NSHDSACASA-N Synonym: fmoc-ala-oh,fmoc-l-alanine,fmoc-l-alpha-alanine,9-fmoc-l-alanine,fmoc-l-ala-oh,n-fmoc-l-alanine,n-9h-fluoren-9-ylmethoxy carbonyl-l-alanine,n-9-fluorenylmethoxycarbonyl-l-alanine,fmoc-alanine,fmoc-l-ala PubChem CID: 6364642 IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid SMILES: CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

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Specifications

PubChem CID	6364642
CAS	35661-39-3
Molecular Weight (g/mol)	311.337
MDL Number	MFCD00037139
SMILES	CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
Synonym	fmoc-ala-oh,fmoc-l-alanine,fmoc-l-alpha-alanine,9-fmoc-l-alanine,fmoc-l-ala-oh,n-fmoc-l-alanine,n-9h-fluoren-9-ylmethoxy carbonyl-l-alanine,n-9-fluorenylmethoxycarbonyl-l-alanine,fmoc-alanine,fmoc-l-ala
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI Key	QWXZOFZKSQXPDC-NSHDSACASA-N
Molecular Formula	C18H17NO4

1,773

[4-(Trifluoromethyl)phenyl]methanesulfonyl chloride, ≥95%, Thermo Scientific™

CAS: 163295-75-8 Molecular Formula: C8H6ClF3O2S Molecular Weight (g/mol): 258.64 MDL Number: MFCD01631932 InChI Key: KKBNUPMMAGEQAT-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenyl methanesulfonyl chloride,4-trifluoromethylbenzylsulfonyl chloride,4-trifluoromethyl benzylsulfonyl chloride,4-trifluoromethyl phenyl methyl sulfonyl chloride,4-chlorosulphonyl methyl benzotrifluoride,4-trifluoromethyl-alpha-toluenesulfonyl chloride,4-trifluoromethylphenyl methanesulfonyl chloride,4-trifluoromethyl-phenyl-methanesulfonyl chloride,alpha-chlorosulphonyl-4-trifluoromethyl toluene PubChem CID: 594332 IUPAC Name: [4-(trifluoromethyl)phenyl]methanesulfonyl chloride SMILES: FC(F)(F)C1=CC=C(CS(Cl)(=O)=O)C=C1

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PubChem CID	594332
CAS	163295-75-8
Molecular Weight (g/mol)	258.64
MDL Number	MFCD01631932
SMILES	FC(F)(F)C1=CC=C(CS(Cl)(=O)=O)C=C1
Synonym	4-trifluoromethyl phenyl methanesulfonyl chloride,4-trifluoromethylbenzylsulfonyl chloride,4-trifluoromethyl benzylsulfonyl chloride,4-trifluoromethyl phenyl methyl sulfonyl chloride,4-chlorosulphonyl methyl benzotrifluoride,4-trifluoromethyl-alpha-toluenesulfonyl chloride,4-trifluoromethylphenyl methanesulfonyl chloride,4-trifluoromethyl-phenyl-methanesulfonyl chloride,alpha-chlorosulphonyl-4-trifluoromethyl toluene
IUPAC Name	[4-(trifluoromethyl)phenyl]methanesulfonyl chloride
InChI Key	KKBNUPMMAGEQAT-UHFFFAOYSA-N
Molecular Formula	C8H6ClF3O2S

1,774

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Phenyl acetate, 97%

CAS: 122-79-2 Molecular Formula: C₈H₈O₂ Molecular Weight (g/mol): 136.15 MDL Number: MFCD00008699 InChI Key: IPBVNPXQWQGGJP-UHFFFAOYSA-N Synonym: acetic acid phenyl ester,phenol acetate,acetylphenol,acetic acid, phenyl ester,acetyl phenol,acetoxybenzene,acetates,acetic acid,phenyl ester,fenylester kyseliny octove,fenylester kyseliny octove czech PubChem CID: 31229 ChEBI: CHEBI:8082 IUPAC Name: phenyl acetate SMILES: CC(=O)OC1=CC=CC=C1

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PubChem CID	31229
CAS	122-79-2
Molecular Weight (g/mol)	136.15
ChEBI	CHEBI:8082
MDL Number	MFCD00008699
SMILES	CC(=O)OC1=CC=CC=C1
Synonym	acetic acid phenyl ester,phenol acetate,acetylphenol,acetic acid, phenyl ester,acetyl phenol,acetoxybenzene,acetates,acetic acid,phenyl ester,fenylester kyseliny octove,fenylester kyseliny octove czech
IUPAC Name	phenyl acetate
InChI Key	IPBVNPXQWQGGJP-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₂

1,775

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4-Amino-3-hydroxy-1-naphthalenesulfonic acid, 95%

CAS: 116-63-2 Molecular Formula: C₁₀H₉NO₄S Molecular Weight (g/mol): 239.25 MDL Number: MFCD00004019 InChI Key: RXCMFQDTWCCLBL-UHFFFAOYSA-N Synonym: 1-amino-2-naphthol-4-sulfonic acid,4-amino-3-hydroxy-1-naphthalenesulfonic acid,1-amino-4-sulfo-2-naphthol,1,2,4-acid,unii-w46sk3p33g,1-naphthalenesulfonic acid, 4-amino-3-hydroxy,4-amino-3-hydroxynaphthalene-1-sulphonic acid,4-amino-3-hydroxynaphthalenesulfonic acid,1,2,4-aminonaphtholsulfonic acid,2-hydroxy-4-sulfo-1-naphthylamine PubChem CID: 8316 ChEBI: CHEBI:19024 IUPAC Name: 4-amino-3-hydroxynaphthalene-1-sulfonic acid SMILES: C1=CC=C2C(=C1)C(=CC(=C2N)O)S(=O)(=O)O

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Specifications

PubChem CID	8316
CAS	116-63-2
Molecular Weight (g/mol)	239.25
ChEBI	CHEBI:19024
MDL Number	MFCD00004019
SMILES	C1=CC=C2C(=C1)C(=CC(=C2N)O)S(=O)(=O)O
Synonym	1-amino-2-naphthol-4-sulfonic acid,4-amino-3-hydroxy-1-naphthalenesulfonic acid,1-amino-4-sulfo-2-naphthol,1,2,4-acid,unii-w46sk3p33g,1-naphthalenesulfonic acid, 4-amino-3-hydroxy,4-amino-3-hydroxynaphthalene-1-sulphonic acid,4-amino-3-hydroxynaphthalenesulfonic acid,1,2,4-aminonaphtholsulfonic acid,2-hydroxy-4-sulfo-1-naphthylamine
IUPAC Name	4-amino-3-hydroxynaphthalene-1-sulfonic acid
InChI Key	RXCMFQDTWCCLBL-UHFFFAOYSA-N
Molecular Formula	C₁₀H₉NO₄S

1,776

1-[4-(Bromomethyl)phenyl]-1H-1,2,4-triazole, 97%, Thermo Scientific™

CAS: 58419-69-5 Molecular Formula: C9H8BrN3 Molecular Weight (g/mol): 238.088 MDL Number: MFCD04113600 InChI Key: NOUAEJFAVOHNSY-UHFFFAOYSA-N Synonym: 1-4-bromomethyl phenyl-1h-1,2,4-triazole,1-4-bromomethyl phenyl-1,2,4-triazole,1h-1,2,4-triazole, 1-4-bromomethyl phenyl,1-4-bromomethylphenyl-1h-1,2,4-triazole,zlchem 1040,1-4-bromomethyl phenyl-1h-1,2,4-triazol,1-4-bromomethyl-phenyl-1h-1,2,4-triazole,1-4-bromo-methyl phenyl-1h-1,2,4-triazole PubChem CID: 2776489 IUPAC Name: 1-[4-(bromomethyl)phenyl]-1,2,4-triazole SMILES: C1=CC(=CC=C1CBr)N2C=NC=N2

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Specifications

PubChem CID	2776489
CAS	58419-69-5
Molecular Weight (g/mol)	238.088
MDL Number	MFCD04113600
SMILES	C1=CC(=CC=C1CBr)N2C=NC=N2
Synonym	1-4-bromomethyl phenyl-1h-1,2,4-triazole,1-4-bromomethyl phenyl-1,2,4-triazole,1h-1,2,4-triazole, 1-4-bromomethyl phenyl,1-4-bromomethylphenyl-1h-1,2,4-triazole,zlchem 1040,1-4-bromomethyl phenyl-1h-1,2,4-triazol,1-4-bromomethyl-phenyl-1h-1,2,4-triazole,1-4-bromo-methyl phenyl-1h-1,2,4-triazole
IUPAC Name	1-[4-(bromomethyl)phenyl]-1,2,4-triazole
InChI Key	NOUAEJFAVOHNSY-UHFFFAOYSA-N
Molecular Formula	C9H8BrN3

1,777

[3-(1H-Pyrazol-1-yl)phenyl]methanol, ≥90%, Thermo Scientific™

CAS: 864068-80-4 Molecular Formula: C10H10N2O Molecular Weight (g/mol): 174.20 MDL Number: MFCD06740322 InChI Key: VINVOQJANISHSK-UHFFFAOYSA-N Synonym: 3-1h-pyrazol-1-yl phenyl methanol,3-1-pyrazolyl benzyl alcohol,3-pyrazol-1-yl-phenyl-methanol,3-pyrazol-1-yl phenyl methanol,3-pyrazol-1-ylphenyl methanol,3-pyrazolylphenyl methan-1-ol,3-1h-pyrazole-1-yl benzyl alcohol,benzenemethanol, 3-1h-pyrazol-1-yl,benzenemethanol,3-1h-pyrazol-1-yl PubChem CID: 7164580 IUPAC Name: [3-(1H-pyrazol-1-yl)phenyl]methanol SMILES: OCC1=CC(=CC=C1)N1C=CC=N1

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Specifications

PubChem CID	7164580
CAS	864068-80-4
Molecular Weight (g/mol)	174.20
MDL Number	MFCD06740322
SMILES	OCC1=CC(=CC=C1)N1C=CC=N1
Synonym	3-1h-pyrazol-1-yl phenyl methanol,3-1-pyrazolyl benzyl alcohol,3-pyrazol-1-yl-phenyl-methanol,3-pyrazol-1-yl phenyl methanol,3-pyrazol-1-ylphenyl methanol,3-pyrazolylphenyl methan-1-ol,3-1h-pyrazole-1-yl benzyl alcohol,benzenemethanol, 3-1h-pyrazol-1-yl,benzenemethanol,3-1h-pyrazol-1-yl
IUPAC Name	[3-(1H-pyrazol-1-yl)phenyl]methanol
InChI Key	VINVOQJANISHSK-UHFFFAOYSA-N
Molecular Formula	C10H10N2O

1,778

[3-(1,3-Thiazol-2-yl)phenyl]methanol, 97%, Thermo Scientific™

CAS: 184847-97-0 Molecular Formula: C10H9NOS Molecular Weight (g/mol): 191.248 MDL Number: MFCD09025828 InChI Key: VDFDKGHCZKGOLZ-UHFFFAOYSA-N Synonym: 3-1,3-thiazol-2-yl phenyl methanol,3-thiazol-2-yl benzyl alcohol,3-thiazol-2-yl phenyl methanol,3-1,3-thiazol-2-yl phenyl methan-1-ol PubChem CID: 18525726 IUPAC Name: [3-(1,3-thiazol-2-yl)phenyl]methanol SMILES: C1=CC(=CC(=C1)CO)C2=NC=CS2

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Specifications

PubChem CID	18525726
CAS	184847-97-0
Molecular Weight (g/mol)	191.248
MDL Number	MFCD09025828
SMILES	C1=CC(=CC(=C1)CO)C2=NC=CS2
Synonym	3-1,3-thiazol-2-yl phenyl methanol,3-thiazol-2-yl benzyl alcohol,3-thiazol-2-yl phenyl methanol,3-1,3-thiazol-2-yl phenyl methan-1-ol
IUPAC Name	[3-(1,3-thiazol-2-yl)phenyl]methanol
InChI Key	VDFDKGHCZKGOLZ-UHFFFAOYSA-N
Molecular Formula	C10H9NOS

1,779

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[Hydroxy(tosyloxy)iodo]benzene, 97%

CAS: 27126-76-7 Molecular Formula: C₁₃H₁₃IO₄S Molecular Weight (g/mol): 392.21 MDL Number: MFCD00011547 InChI Key: LRIUKPUCKCECPT-UHFFFAOYSA-N Synonym: hydroxy tosyloxy iodo benzene,htib,koser's reagent,phenyliodosohydroxy tosylate,koser reagent,unii-2eoa97b14a,hydroxy p-tolylsulfonyl oxy iodo benzene,hydroxy 4-methylbenzenesulfonato-o phenyliodine,iodosobenzene-i-mono-p-toluenesulfonate,hydroxy phenyl 4-methylbenzenesulfonoperoxoyl iodide PubChem CID: 325434 IUPAC Name: [hydroxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)O

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Specifications

PubChem CID	325434
CAS	27126-76-7
Molecular Weight (g/mol)	392.21
MDL Number	MFCD00011547
SMILES	CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)O
Synonym	hydroxy tosyloxy iodo benzene,htib,koser's reagent,phenyliodosohydroxy tosylate,koser reagent,unii-2eoa97b14a,hydroxy p-tolylsulfonyl oxy iodo benzene,hydroxy 4-methylbenzenesulfonato-o phenyliodine,iodosobenzene-i-mono-p-toluenesulfonate,hydroxy phenyl 4-methylbenzenesulfonoperoxoyl iodide
IUPAC Name	[hydroxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate
InChI Key	LRIUKPUCKCECPT-UHFFFAOYSA-N
Molecular Formula	C₁₃H₁₃IO₄S

1,780

[1-(Phenylsulfonyl)-1H-indol-3-yl]methanol, ≥97%, Thermo Scientific™

CAS: 89241-33-8 Molecular Formula: C15H13NO3S Molecular Weight (g/mol): 287.333 MDL Number: MFCD02682024 InChI Key: ZMLXSFMIPYDHIN-UHFFFAOYSA-N Synonym: 1-phenylsulfonyl-1h-indol-3-yl methanol,1-benzenesulfonyl indol-3-yl methanol,1h-indole-3-methanol,1-phenylsulfonyl,1-benzenesulfonyl-1h-indol-3-yl methanol,acmc-20ljqe,1-benzenesulfonyl-1h-indol-3-ylmethanol,3-hydroxymethyl-n-phenylsulfonyl indole,1-phenylsulfonyl-1h-indole-3-methanol PubChem CID: 2776213 IUPAC Name: [1-(benzenesulfonyl)indol-3-yl]methanol SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CO

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Specifications

PubChem CID	2776213
CAS	89241-33-8
Molecular Weight (g/mol)	287.333
MDL Number	MFCD02682024
SMILES	C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CO
Synonym	1-phenylsulfonyl-1h-indol-3-yl methanol,1-benzenesulfonyl indol-3-yl methanol,1h-indole-3-methanol,1-phenylsulfonyl,1-benzenesulfonyl-1h-indol-3-yl methanol,acmc-20ljqe,1-benzenesulfonyl-1h-indol-3-ylmethanol,3-hydroxymethyl-n-phenylsulfonyl indole,1-phenylsulfonyl-1h-indole-3-methanol
IUPAC Name	[1-(benzenesulfonyl)indol-3-yl]methanol
InChI Key	ZMLXSFMIPYDHIN-UHFFFAOYSA-N
Molecular Formula	C15H13NO3S

1,781

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3-Sulfobenzoic acid monosodium salt, 97%

CAS: 17625-03-5 Molecular Formula: C7H5NaO5S Molecular Weight (g/mol): 224.162 MDL Number: MFCD00066378 InChI Key: KQHKITXZJDOIOD-UHFFFAOYSA-M PubChem CID: 23668512 IUPAC Name: sodium;3-sulfobenzoate SMILES: C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)[O-].[Na+]

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Specifications

PubChem CID	23668512
CAS	17625-03-5
Molecular Weight (g/mol)	224.162
MDL Number	MFCD00066378
SMILES	C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)[O-].[Na+]
IUPAC Name	sodium;3-sulfobenzoate
InChI Key	KQHKITXZJDOIOD-UHFFFAOYSA-M
Molecular Formula	C7H5NaO5S

1,782

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Thioanisole, 99%

CAS: 100-68-5 Molecular Formula: C₇H₈S Molecular Weight (g/mol): 124.21 MDL Number: MFCD00008559 InChI Key: HNKJADCVZUBCPG-UHFFFAOYSA-N Synonym: thioanisole,methyl phenyl sulfide,methylthio benzene,thioanisol,benzene, methylthio,phenylthiomethane,phenyl methyl sulfide,methylsulfanyl benzene,methylphenylsulfide,1-thiaethyl benzene PubChem CID: 7520 IUPAC Name: methylsulfanylbenzene SMILES: CSC1=CC=CC=C1

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Specifications

PubChem CID	7520
CAS	100-68-5
Molecular Weight (g/mol)	124.21
MDL Number	MFCD00008559
SMILES	CSC1=CC=CC=C1
Synonym	thioanisole,methyl phenyl sulfide,methylthio benzene,thioanisol,benzene, methylthio,phenylthiomethane,phenyl methyl sulfide,methylsulfanyl benzene,methylphenylsulfide,1-thiaethyl benzene
IUPAC Name	methylsulfanylbenzene
InChI Key	HNKJADCVZUBCPG-UHFFFAOYSA-N
Molecular Formula	C₇H₈S

1,783

3-[4-(Bromomethyl)phenyl]-5-methyl-1,2,4-oxadiazole 97+%, Thermo Scientific™

CAS: 256956-42-0 Molecular Formula: C10H9BrN2O Molecular Weight (g/mol): 253.099 InChI Key: BMXSEDLZMUPKSH-UHFFFAOYSA-N Synonym: 3-4-bromomethyl phenyl-5-methyl-1,2,4-oxadiazole,1,2,4-oxadiazole, 3-4-bromomethyl phenyl-5-methyl,1,2,4-oxadiazole,3-4-bromomethyl phenyl-5-methyl,3-4-bromomethyl phenyl-5-methyl-1,2,4-oxadiazol PubChem CID: 7164590 IUPAC Name: 3-[4-(bromomethyl)phenyl]-5-methyl-1,2,4-oxadiazole SMILES: CC1=NC(=NO1)C2=CC=C(C=C2)CBr

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Specifications

PubChem CID	7164590
CAS	256956-42-0
Molecular Weight (g/mol)	253.099
SMILES	CC1=NC(=NO1)C2=CC=C(C=C2)CBr
Synonym	3-4-bromomethyl phenyl-5-methyl-1,2,4-oxadiazole,1,2,4-oxadiazole, 3-4-bromomethyl phenyl-5-methyl,1,2,4-oxadiazole,3-4-bromomethyl phenyl-5-methyl,3-4-bromomethyl phenyl-5-methyl-1,2,4-oxadiazol
IUPAC Name	3-[4-(bromomethyl)phenyl]-5-methyl-1,2,4-oxadiazole
InChI Key	BMXSEDLZMUPKSH-UHFFFAOYSA-N
Molecular Formula	C10H9BrN2O

1,784

Pentafluorophenyl pyrimidine-5-carboxylate, 97%, Thermo Scientific™

CAS: 921938-48-9 Molecular Formula: C11H3F5N2O2 Molecular Weight (g/mol): 290.15 MDL Number: MFCD09702344 InChI Key: TZPLYNSLIVPKAH-UHFFFAOYSA-N Synonym: pentafluorophenyl pyrimidine-5-carboxylate,perfluorophenyl pyrimidine-5-carboxylate,2,3,4,5,6-pentafluorophenyl pyrimidine-5-carboxylate,2,3,4,5,6-pentakis fluoranyl phenyl pyrimidine-5-carboxylate,5-pyrimidinecarboxylic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229455 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) pyrimidine-5-carboxylate SMILES: FC1=C(F)C(F)=C(OC(=O)C2=CN=CN=C2)C(F)=C1F

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Specifications

PubChem CID	24229455
CAS	921938-48-9
Molecular Weight (g/mol)	290.15
MDL Number	MFCD09702344
SMILES	FC1=C(F)C(F)=C(OC(=O)C2=CN=CN=C2)C(F)=C1F
Synonym	pentafluorophenyl pyrimidine-5-carboxylate,perfluorophenyl pyrimidine-5-carboxylate,2,3,4,5,6-pentafluorophenyl pyrimidine-5-carboxylate,2,3,4,5,6-pentakis fluoranyl phenyl pyrimidine-5-carboxylate,5-pyrimidinecarboxylic acid 2,3,4,5,6-pentafluorophenyl ester
IUPAC Name	(2,3,4,5,6-pentafluorophenyl) pyrimidine-5-carboxylate
InChI Key	TZPLYNSLIVPKAH-UHFFFAOYSA-N
Molecular Formula	C11H3F5N2O2

1,785

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Hydroxy(tosyloxy)iodobenzene, 97%

CAS: 27126-76-7 Molecular Formula: C13H13IO4S Molecular Weight (g/mol): 392.207 MDL Number: MFCD00011547 InChI Key: LRIUKPUCKCECPT-UHFFFAOYSA-N Synonym: hydroxy tosyloxy iodo benzene,htib,koser's reagent,phenyliodosohydroxy tosylate,koser reagent,unii-2eoa97b14a,hydroxy p-tolylsulfonyl oxy iodo benzene,hydroxy 4-methylbenzenesulfonato-o phenyliodine,iodosobenzene-i-mono-p-toluenesulfonate,hydroxy phenyl 4-methylbenzenesulfonoperoxoyl iodide PubChem CID: 325434 IUPAC Name: [hydroxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)O

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Specifications

PubChem CID	325434
CAS	27126-76-7
Molecular Weight (g/mol)	392.207
MDL Number	MFCD00011547
SMILES	CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)O
Synonym	hydroxy tosyloxy iodo benzene,htib,koser's reagent,phenyliodosohydroxy tosylate,koser reagent,unii-2eoa97b14a,hydroxy p-tolylsulfonyl oxy iodo benzene,hydroxy 4-methylbenzenesulfonato-o phenyliodine,iodosobenzene-i-mono-p-toluenesulfonate,hydroxy phenyl 4-methylbenzenesulfonoperoxoyl iodide
IUPAC Name	[hydroxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate
InChI Key	LRIUKPUCKCECPT-UHFFFAOYSA-N
Molecular Formula	C13H13IO4S

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