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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1,861 – 1,875 of 157,535 results

1,861

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4-(Chloromethyl)-1,2-diphenylethane, 98%

CAS: 80676-35-3 Molecular Formula: C15H15Cl Molecular Weight (g/mol): 230.74 MDL Number: MFCD02093918 InChI Key: KPTSLALCCGBCOB-UHFFFAOYSA-N Synonym: 4-chloromethyl dibenzyl,1-chloromethyl-4-phenethylbenzene,4-chloromethyl-1,2-diphenylethane,1-chloromethyl-4-2-phenylethyl benzene,4-chloromethyl bibenzyl,4-phenethylbenzyl chloride PubChem CID: 2733990 IUPAC Name: 1-(chloromethyl)-4-(2-phenylethyl)benzene SMILES: ClCC1=CC=C(CCC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	2733990
CAS	80676-35-3
Molecular Weight (g/mol)	230.74
MDL Number	MFCD02093918
SMILES	ClCC1=CC=C(CCC2=CC=CC=C2)C=C1
Synonym	4-chloromethyl dibenzyl,1-chloromethyl-4-phenethylbenzene,4-chloromethyl-1,2-diphenylethane,1-chloromethyl-4-2-phenylethyl benzene,4-chloromethyl bibenzyl,4-phenethylbenzyl chloride
IUPAC Name	1-(chloromethyl)-4-(2-phenylethyl)benzene
InChI Key	KPTSLALCCGBCOB-UHFFFAOYSA-N
Molecular Formula	C15H15Cl

1,862

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2,5-Dichlorophenol, 98%

CAS: 583-78-8 Molecular Formula: C6H4Cl2O Molecular Weight (g/mol): 163.00 MDL Number: MFCD00002174 InChI Key: RANCECPPZPIPNO-UHFFFAOYSA-N Synonym: phenol, 2,5-dichloro,2,5-dichloro-phenol,2,5-dcp,unii-3b11g9akba,3,6-dichlorophenol,ccris 5903,3b11g9akba,dsstox_cid_5003,dsstox_rid_77621,dsstox_gsid_25003 PubChem CID: 66 ChEBI: CHEBI:27929 IUPAC Name: 2,5-dichlorophenol SMILES: OC1=CC(Cl)=CC=C1Cl

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Specifications

PubChem CID	66
CAS	583-78-8
Molecular Weight (g/mol)	163.00
ChEBI	CHEBI:27929
MDL Number	MFCD00002174
SMILES	OC1=CC(Cl)=CC=C1Cl
Synonym	phenol, 2,5-dichloro,2,5-dichloro-phenol,2,5-dcp,unii-3b11g9akba,3,6-dichlorophenol,ccris 5903,3b11g9akba,dsstox_cid_5003,dsstox_rid_77621,dsstox_gsid_25003
IUPAC Name	2,5-dichlorophenol
InChI Key	RANCECPPZPIPNO-UHFFFAOYSA-N
Molecular Formula	C6H4Cl2O

1,863

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4-Chloro-3-iodophenol, 98%

CAS: 202982-72-7 Molecular Formula: C6H4ClIO Molecular Weight (g/mol): 254.451 MDL Number: MFCD00070769 InChI Key: UPIATGHEVZKVRT-UHFFFAOYSA-N Synonym: phenol, 4-chloro-3-iodo,acmc-20adn2,4-chloro-3-iodo-phenol,phenol,4-chloro-3-iodo,4-chloro-3-iodophenol PubChem CID: 22928729 IUPAC Name: 4-chloro-3-iodophenol SMILES: C1=CC(=C(C=C1O)I)Cl

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Specifications

PubChem CID	22928729
CAS	202982-72-7
Molecular Weight (g/mol)	254.451
MDL Number	MFCD00070769
SMILES	C1=CC(=C(C=C1O)I)Cl
Synonym	phenol, 4-chloro-3-iodo,acmc-20adn2,4-chloro-3-iodo-phenol,phenol,4-chloro-3-iodo,4-chloro-3-iodophenol
IUPAC Name	4-chloro-3-iodophenol
InChI Key	UPIATGHEVZKVRT-UHFFFAOYSA-N
Molecular Formula	C6H4ClIO

1,864

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3-(Trifluoromethoxy)benzyl bromide, 98%

CAS: 159689-88-0 Molecular Formula: C8H6BrF3O Molecular Weight (g/mol): 255.03 MDL Number: MFCD00061271 InChI Key: QSIVWRRHVXSDNE-UHFFFAOYSA-N Synonym: 3-trifluoromethoxy benzyl bromide,1-bromomethyl-3-trifluoromethoxy benzene,3-trifluoromethoxybenzyl bromide,alpha-bromo-3-trifluoromethoxy toluene,3-trifluoromethoxy benzylbromide,m-trifluoromethoxy benzyl bromide,3-bromomethyl phenoxy trifluoromethane,1-bromomethyl-3-trifluoromethoxy-benzene,benzene, 1-bromomethyl-3-trifluoromethoxy PubChem CID: 737176 IUPAC Name: 1-(bromomethyl)-3-(trifluoromethoxy)benzene SMILES: FC(F)(F)OC1=CC=CC(CBr)=C1

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Specifications

PubChem CID	737176
CAS	159689-88-0
Molecular Weight (g/mol)	255.03
MDL Number	MFCD00061271
SMILES	FC(F)(F)OC1=CC=CC(CBr)=C1
Synonym	3-trifluoromethoxy benzyl bromide,1-bromomethyl-3-trifluoromethoxy benzene,3-trifluoromethoxybenzyl bromide,alpha-bromo-3-trifluoromethoxy toluene,3-trifluoromethoxy benzylbromide,m-trifluoromethoxy benzyl bromide,3-bromomethyl phenoxy trifluoromethane,1-bromomethyl-3-trifluoromethoxy-benzene,benzene, 1-bromomethyl-3-trifluoromethoxy
IUPAC Name	1-(bromomethyl)-3-(trifluoromethoxy)benzene
InChI Key	QSIVWRRHVXSDNE-UHFFFAOYSA-N
Molecular Formula	C8H6BrF3O

1,865

2-(1H-1,2,4-triazol-1-ylmethyl)benzaldehyde, 97%, Thermo Scientific™

CAS: 906352-62-3 Molecular Formula: C10H9N3O Molecular Weight (g/mol): 187.202 MDL Number: MFCD09025843 InChI Key: XPXZXSFDTOZFQQ-UHFFFAOYSA-N Synonym: 2-1h-1,2,4-triazol-1-ylmethyl benzaldehyde,2-1,2,4-triazol-1-ylmethyl benzaldehyde,2-1h-1,2,4-triazol-1-yl methyl benzaldehyde,2-1,2,4-triazolylmethyl benzaldehyde PubChem CID: 18525815 IUPAC Name: 2-(1,2,4-triazol-1-ylmethyl)benzaldehyde SMILES: C1=CC=C(C(=C1)CN2C=NC=N2)C=O

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Specifications

PubChem CID	18525815
CAS	906352-62-3
Molecular Weight (g/mol)	187.202
MDL Number	MFCD09025843
SMILES	C1=CC=C(C(=C1)CN2C=NC=N2)C=O
Synonym	2-1h-1,2,4-triazol-1-ylmethyl benzaldehyde,2-1,2,4-triazol-1-ylmethyl benzaldehyde,2-1h-1,2,4-triazol-1-yl methyl benzaldehyde,2-1,2,4-triazolylmethyl benzaldehyde
IUPAC Name	2-(1,2,4-triazol-1-ylmethyl)benzaldehyde
InChI Key	XPXZXSFDTOZFQQ-UHFFFAOYSA-N
Molecular Formula	C10H9N3O

1,866

[2-(1H-1,2,4-Triazol-1-ylmethyl)phenyl]methanol, 97%, Thermo Scientific™

CAS: 884507-25-9 Molecular Formula: C10H11N3O Molecular Weight (g/mol): 189.218 MDL Number: MFCD09025844 InChI Key: OYFLAXVFVKLQPM-UHFFFAOYSA-N Synonym: 2-1h-1,2,4-triazol-1-ylmethyl phenyl methanol,2-1,2,4-triazol-1-ylmethyl phenyl methanol,2-1h-1,2,4-triazol-1-yl methyl phenyl methanol,2-1,2,4-triazolylmethyl phenyl methan-1-ol PubChem CID: 18525816 IUPAC Name: [2-(1,2,4-triazol-1-ylmethyl)phenyl]methanol SMILES: C1=CC=C(C(=C1)CN2C=NC=N2)CO

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Specifications

PubChem CID	18525816
CAS	884507-25-9
Molecular Weight (g/mol)	189.218
MDL Number	MFCD09025844
SMILES	C1=CC=C(C(=C1)CN2C=NC=N2)CO
Synonym	2-1h-1,2,4-triazol-1-ylmethyl phenyl methanol,2-1,2,4-triazol-1-ylmethyl phenyl methanol,2-1h-1,2,4-triazol-1-yl methyl phenyl methanol,2-1,2,4-triazolylmethyl phenyl methan-1-ol
IUPAC Name	[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanol
InChI Key	OYFLAXVFVKLQPM-UHFFFAOYSA-N
Molecular Formula	C10H11N3O

1,867

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

CAS: 926921-57-5 Molecular Formula: C10H9BrN2O Molecular Weight (g/mol): 253.099 MDL Number: MFCD09817470 InChI Key: WKTARCMEMVHRLR-UHFFFAOYSA-N Synonym: 5-3-bromomethyl phenyl-3-methyl-1,2,4-oxadiazole,3-3-methyl-1,2,4-oxadiazol-5-yl benzyl bromide,5-3-bromomethyl phenyl-3-methyl-1,2,4-oxadiazol,alpha-bromo-3-3-methyl-1,2,4-oxadiazol-5-yl toluene,1-bromomethyl-3-3-methyl-1,2,4-oxadiazol-5-yl benzene,pubchem23332 PubChem CID: 24229497 IUPAC Name: 5-[3-(bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole SMILES: CC1=NOC(=N1)C2=CC(=CC=C2)CBr

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Specifications

PubChem CID	24229497
CAS	926921-57-5
Molecular Weight (g/mol)	253.099
MDL Number	MFCD09817470
SMILES	CC1=NOC(=N1)C2=CC(=CC=C2)CBr
Synonym	5-3-bromomethyl phenyl-3-methyl-1,2,4-oxadiazole,3-3-methyl-1,2,4-oxadiazol-5-yl benzyl bromide,5-3-bromomethyl phenyl-3-methyl-1,2,4-oxadiazol,alpha-bromo-3-3-methyl-1,2,4-oxadiazol-5-yl toluene,1-bromomethyl-3-3-methyl-1,2,4-oxadiazol-5-yl benzene,pubchem23332
IUPAC Name	5-[3-(bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole
InChI Key	WKTARCMEMVHRLR-UHFFFAOYSA-N
Molecular Formula	C10H9BrN2O

1,868

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2-Bromo-4-fluoro-6-(trifluoromethyl)aniline, 98%

CAS: 875664-27-0 Molecular Formula: C7H4BrF4N Molecular Weight (g/mol): 258.014 MDL Number: MFCD04973756 InChI Key: OTYCOVZULSPPPW-UHFFFAOYSA-N Synonym: 2-bromo-4-fluoro-6-trifluoromethyl aniline,2-amino-3-bromo-5-fluorobenzotrifluoride,buttpark 154\11-38,benzenamine,2-bromo-4-fluoro-6-trifluoromethyl,2-bromo-4-fluoro-6-trifluoromethyl benzenamine,pubchem19869,ksc658m8n,2-bromo-4-fluoro-6-trifluoromethyl phenylamine,6-bromo-4-fluoro-2-trifluoromethyl phenylamine,2-bromanyl-4-fluoranyl-6-trifluoromethyl aniline PubChem CID: 7018045 IUPAC Name: 2-bromo-4-fluoro-6-(trifluoromethyl)aniline SMILES: C1=C(C=C(C(=C1Br)N)C(F)(F)F)F

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Specifications

PubChem CID	7018045
CAS	875664-27-0
Molecular Weight (g/mol)	258.014
MDL Number	MFCD04973756
SMILES	C1=C(C=C(C(=C1Br)N)C(F)(F)F)F
Synonym	2-bromo-4-fluoro-6-trifluoromethyl aniline,2-amino-3-bromo-5-fluorobenzotrifluoride,buttpark 154\11-38,benzenamine,2-bromo-4-fluoro-6-trifluoromethyl,2-bromo-4-fluoro-6-trifluoromethyl benzenamine,pubchem19869,ksc658m8n,2-bromo-4-fluoro-6-trifluoromethyl phenylamine,6-bromo-4-fluoro-2-trifluoromethyl phenylamine,2-bromanyl-4-fluoranyl-6-trifluoromethyl aniline
IUPAC Name	2-bromo-4-fluoro-6-(trifluoromethyl)aniline
InChI Key	OTYCOVZULSPPPW-UHFFFAOYSA-N
Molecular Formula	C7H4BrF4N

1,869

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3-Methoxybenzenesulfonamide, 97%, Thermo Scientific Chemicals

CAS: 58734-57-9 Molecular Formula: C7H9NO3S Molecular Weight (g/mol): 187.21 MDL Number: MFCD08704579 InChI Key: VBKIEQKVSHDVGH-UHFFFAOYSA-N PubChem CID: 14763060 IUPAC Name: 3-methoxybenzenesulfonamide SMILES: COC1=CC(=CC=C1)S(N)(=O)=O

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Specifications

PubChem CID	14763060
CAS	58734-57-9
Molecular Weight (g/mol)	187.21
MDL Number	MFCD08704579
SMILES	COC1=CC(=CC=C1)S(N)(=O)=O
IUPAC Name	3-methoxybenzenesulfonamide
InChI Key	VBKIEQKVSHDVGH-UHFFFAOYSA-N
Molecular Formula	C7H9NO3S

1,870

(2-Phenoxyphenyl)methanol, ≥97%, Thermo Scientific™

CAS: 13807-84-6 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.237 MDL Number: MFCD00017297 InChI Key: VMZBMTWFHYYOIN-UHFFFAOYSA-N Synonym: 2-phenoxyphenyl methanol,2-phenoxybenzyl alcohol,o-phenoxybenzyl alcohol,phenoxyphenylmethanol,2-phenoxybenzylalcohol,2-phenoxybenzenemethanol,o-phenoxy benzyl alcohol,2-phenoxy-benzenemethanol,benzenemethanol, phenoxy,2-phenoxy-phenyl-methanol PubChem CID: 3660111 IUPAC Name: (2-phenoxyphenyl)methanol SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2CO

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Specifications

PubChem CID	3660111
CAS	13807-84-6
Molecular Weight (g/mol)	200.237
MDL Number	MFCD00017297
SMILES	C1=CC=C(C=C1)OC2=CC=CC=C2CO
Synonym	2-phenoxyphenyl methanol,2-phenoxybenzyl alcohol,o-phenoxybenzyl alcohol,phenoxyphenylmethanol,2-phenoxybenzylalcohol,2-phenoxybenzenemethanol,o-phenoxy benzyl alcohol,2-phenoxy-benzenemethanol,benzenemethanol, phenoxy,2-phenoxy-phenyl-methanol
IUPAC Name	(2-phenoxyphenyl)methanol
InChI Key	VMZBMTWFHYYOIN-UHFFFAOYSA-N
Molecular Formula	C13H12O2

1,871

1-(2-Phenoxyphenyl)methanamine hydrochloride, ≥97%, Thermo Scientific™

CAS: 31963-35-6 Molecular Formula: C13H14ClNO Molecular Weight (g/mol): 235.711 MDL Number: MFCD08271962 InChI Key: USRYZTSPSJXQFU-UHFFFAOYSA-N Synonym: 1-2-phenoxyphenyl methanamine hydrochloride,2-phenoxybenzylamine hydrochloride,2-phenoxyphenyl methanamine hydrochloride,2-phenoxybenzylamine hcl,2-phenoxy-benzylamine hydrochloride,2-phenoxyphenyl methylamine, chloride,1-2-phenoxyphenyl methanaminehydrochloride,2-aminomethyl diphenyl ether hydrochloride,1-2-phenoxyphenyl methanamine-hydrogen chloride 1/1 PubChem CID: 17749840 IUPAC Name: (2-phenoxyphenyl)methanamine;hydrochloride SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2CN.Cl

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Specifications

PubChem CID	17749840
CAS	31963-35-6
Molecular Weight (g/mol)	235.711
MDL Number	MFCD08271962
SMILES	C1=CC=C(C=C1)OC2=CC=CC=C2CN.Cl
Synonym	1-2-phenoxyphenyl methanamine hydrochloride,2-phenoxybenzylamine hydrochloride,2-phenoxyphenyl methanamine hydrochloride,2-phenoxybenzylamine hcl,2-phenoxy-benzylamine hydrochloride,2-phenoxyphenyl methylamine, chloride,1-2-phenoxyphenyl methanaminehydrochloride,2-aminomethyl diphenyl ether hydrochloride,1-2-phenoxyphenyl methanamine-hydrogen chloride 1/1
IUPAC Name	(2-phenoxyphenyl)methanamine;hydrochloride
InChI Key	USRYZTSPSJXQFU-UHFFFAOYSA-N
Molecular Formula	C13H14ClNO

1,872

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4-(Trifluoromethyl)phenylhydrazine hydrochloride, 96%

CAS: 2923-56-0 Molecular Formula: C7H8ClF3N2 Molecular Weight (g/mol): 212.6 MDL Number: MFCD00204233 InChI Key: WCAGNYIHAYOPSE-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenylhydrazine hydrochloride,4-trifluoromethyl phenyl hydrazine hydrochloride,1-4-trifluoromethyl phenyl hydrazine hydrochloride,4-trifluoromethylphenyl hydrazine hydrochloride,4-trifluoromethyl phenylhydrazine hcl,4-trifluoromethyl phenylhydrazine, hcl,hydrazine, 4-trifluoromethyl phenyl-, monohydrochloride,n'-4-trifluoromethyl-phenyl-hydrazinium, chloride PubChem CID: 24229790 IUPAC Name: [4-(trifluoromethyl)phenyl]hydrazine;hydrochloride SMILES: C1=CC(=CC=C1C(F)(F)F)NN.Cl

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Specifications

PubChem CID	24229790
CAS	2923-56-0
Molecular Weight (g/mol)	212.6
MDL Number	MFCD00204233
SMILES	C1=CC(=CC=C1C(F)(F)F)NN.Cl
Synonym	4-trifluoromethyl phenylhydrazine hydrochloride,4-trifluoromethyl phenyl hydrazine hydrochloride,1-4-trifluoromethyl phenyl hydrazine hydrochloride,4-trifluoromethylphenyl hydrazine hydrochloride,4-trifluoromethyl phenylhydrazine hcl,4-trifluoromethyl phenylhydrazine, hcl,hydrazine, 4-trifluoromethyl phenyl-, monohydrochloride,n'-4-trifluoromethyl-phenyl-hydrazinium, chloride
IUPAC Name	[4-(trifluoromethyl)phenyl]hydrazine;hydrochloride
InChI Key	WCAGNYIHAYOPSE-UHFFFAOYSA-N
Molecular Formula	C7H8ClF3N2

1,873

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2,6-Difluorobenzylmagnesium bromide, 0.25M in 2-MeTHF

CAS: 107549-26-8 Molecular Formula: C7H5BrF2Mg Molecular Weight (g/mol): 231.32 MDL Number: MFCD11113508 InChI Key: KEOOIBWMYNKEEF-UHFFFAOYSA-M Synonym: 2,6-difluorobenzylmagnesium bromide, 0.25m in 2-methf,2,6-difluorobenzylmagnesium bromide,grignard reagent PubChem CID: 73995681 IUPAC Name: bromo[(2,6-difluorophenyl)methyl]magnesium SMILES: FC1=CC=CC(F)=C1C[Mg]Br

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Specifications

PubChem CID	73995681
CAS	107549-26-8
Molecular Weight (g/mol)	231.32
MDL Number	MFCD11113508
SMILES	FC1=CC=CC(F)=C1C[Mg]Br
Synonym	2,6-difluorobenzylmagnesium bromide, 0.25m in 2-methf,2,6-difluorobenzylmagnesium bromide,grignard reagent
IUPAC Name	bromo[(2,6-difluorophenyl)methyl]magnesium
InChI Key	KEOOIBWMYNKEEF-UHFFFAOYSA-M
Molecular Formula	C7H5BrF2Mg

1,874

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2-Methyl-4-(trifluoromethoxy)aniline, 97+%

CAS: 86256-59-9 Molecular Formula: C8H8F3NO Molecular Weight (g/mol): 191.153 MDL Number: MFCD01631541 InChI Key: IIDBMILLZRYZCH-UHFFFAOYSA-N Synonym: 2-methyl-4-trifluoromethoxy aniline,2-methyl-4-trifluoromethoxy benzenamine,4-trifluoromethoxy-2-methylaniline,4-trifluoromethoxy-o-toluidine,benzenamine, 2-methyl-4-trifluoromethoxy,2-methyl-4-trifluoromethoxy phenylamine,pubchem8512,ksc495s8h,2-amino-5-trifluoromethoxy toluene PubChem CID: 2775546 IUPAC Name: 2-methyl-4-(trifluoromethoxy)aniline SMILES: CC1=C(C=CC(=C1)OC(F)(F)F)N

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Specifications

PubChem CID	2775546
CAS	86256-59-9
Molecular Weight (g/mol)	191.153
MDL Number	MFCD01631541
SMILES	CC1=C(C=CC(=C1)OC(F)(F)F)N
Synonym	2-methyl-4-trifluoromethoxy aniline,2-methyl-4-trifluoromethoxy benzenamine,4-trifluoromethoxy-2-methylaniline,4-trifluoromethoxy-o-toluidine,benzenamine, 2-methyl-4-trifluoromethoxy,2-methyl-4-trifluoromethoxy phenylamine,pubchem8512,ksc495s8h,2-amino-5-trifluoromethoxy toluene
IUPAC Name	2-methyl-4-(trifluoromethoxy)aniline
InChI Key	IIDBMILLZRYZCH-UHFFFAOYSA-N
Molecular Formula	C8H8F3NO

1,875

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1-Bromo-4-fluoro-2-iodobenzene, 98+%

CAS: 202865-72-3 Molecular Formula: C6H3BrFI Molecular Weight (g/mol): 300.897 MDL Number: MFCD00042578 InChI Key: QDCBSSUCEUMLGC-UHFFFAOYSA-N Synonym: 2-bromo-5-fluoroiodobenzene,4-fluoro-2-iodobromobenzene,2-iodo-4-fluorobromobenzene,1-bromo-4-fluoro-2-iodo-benzene,benzene, 1-bromo-4-fluoro-2-iodo,2-bromo-5-fluoro-1-iodobenzene,pubchem3233,acmc-1cljm,ksc493k3j,1-bromo-2-iodo-4-fluorobenzene PubChem CID: 2773370 IUPAC Name: 1-bromo-4-fluoro-2-iodobenzene SMILES: C1=CC(=C(C=C1F)I)Br

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Specifications

PubChem CID	2773370
CAS	202865-72-3
Molecular Weight (g/mol)	300.897
MDL Number	MFCD00042578
SMILES	C1=CC(=C(C=C1F)I)Br
Synonym	2-bromo-5-fluoroiodobenzene,4-fluoro-2-iodobromobenzene,2-iodo-4-fluorobromobenzene,1-bromo-4-fluoro-2-iodo-benzene,benzene, 1-bromo-4-fluoro-2-iodo,2-bromo-5-fluoro-1-iodobenzene,pubchem3233,acmc-1cljm,ksc493k3j,1-bromo-2-iodo-4-fluorobenzene
IUPAC Name	1-bromo-4-fluoro-2-iodobenzene
InChI Key	QDCBSSUCEUMLGC-UHFFFAOYSA-N
Molecular Formula	C6H3BrFI

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