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.

3,706 – 3,720 of 73,799 results

3,706

2-Chloro-5-nitrobenzoic Acid, 99+%

CAS: 2516-96-3 Molecular Formula: C₇H₄ClNO₄ Molecular Weight (g/mol): 201.56 MDL Number: MFCD00007294 InChI Key: QUEKGYQTRJVEQC-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid PubChem CID: 17287 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

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Specifications

PubChem CID	17287
CAS	2516-96-3
Molecular Weight (g/mol)	201.56
MDL Number	MFCD00007294
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl
Synonym	2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid
InChI Key	QUEKGYQTRJVEQC-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClNO₄

3,707

5-Methylsalicylic acid, 98%

CAS: 89-56-5 Molecular Formula: C₈H₈O₃ Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002461 InChI Key: DLGBEGBHXSAQOC-UHFFFAOYSA-N Synonym: 5-methylsalicylic acid,p-cresotic acid,p-cresotinic acid,6-hydroxy-m-toluic acid,p-homosalicylic acid,2,5-cresotic acid,benzoic acid, 2-hydroxy-5-methyl,5-methyl-2-hydroxybenzoic acid,6-hydroxy-3-methylbenzoic acid,alpha-cresotinic acid PubChem CID: 6973 IUPAC Name: 2-hydroxy-5-methylbenzoic acid SMILES: CC1=CC(=C(C=C1)O)C(=O)O

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Specifications

PubChem CID	6973
CAS	89-56-5
Molecular Weight (g/mol)	152.15
MDL Number	MFCD00002461
SMILES	CC1=CC(=C(C=C1)O)C(=O)O
Synonym	5-methylsalicylic acid,p-cresotic acid,p-cresotinic acid,6-hydroxy-m-toluic acid,p-homosalicylic acid,2,5-cresotic acid,benzoic acid, 2-hydroxy-5-methyl,5-methyl-2-hydroxybenzoic acid,6-hydroxy-3-methylbenzoic acid,alpha-cresotinic acid
IUPAC Name	2-hydroxy-5-methylbenzoic acid
InChI Key	DLGBEGBHXSAQOC-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₃

3,708

4-Fluorobenzoyl chloride, 98%

CAS: 403-43-0 Molecular Formula: C₇H₄ClFO Molecular Weight (g/mol): 158.56 MDL Number: MFCD00000684 InChI Key: CZKLEJHVLCMVQR-UHFFFAOYSA-N Synonym: benzoyl chloride, 4-fluoro,p-fluorobenzoyl chloride,benzoyl chloride, p-fluoro,p-fluorobenzoic acid chloride,4-fluorobenzoylchloride,fluorobenzoyl 4-chloride,4-fluorobenzoic acid chloride,p-fluorobenzoylchloride,p-fluorobenzoyl choride,4-flurobenzoyl chloride PubChem CID: 67879 IUPAC Name: 4-fluorobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)F

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Specifications

PubChem CID	67879
CAS	403-43-0
Molecular Weight (g/mol)	158.56
MDL Number	MFCD00000684
SMILES	C1=CC(=CC=C1C(=O)Cl)F
Synonym	benzoyl chloride, 4-fluoro,p-fluorobenzoyl chloride,benzoyl chloride, p-fluoro,p-fluorobenzoic acid chloride,4-fluorobenzoylchloride,fluorobenzoyl 4-chloride,4-fluorobenzoic acid chloride,p-fluorobenzoylchloride,p-fluorobenzoyl choride,4-flurobenzoyl chloride
IUPAC Name	4-fluorobenzoyl chloride
InChI Key	CZKLEJHVLCMVQR-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClFO

3,709

4-Bromostyrene, 96%, stabilized

CAS: 2039-82-9 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.05 MDL Number: MFCD00000110 InChI Key: WGGLDBIZIQMEGH-UHFFFAOYSA-N Synonym: 4-bromostyrene,1-bromo-4-vinylbenzene,p-bromostyrene,benzene, 1-bromo-4-ethenyl,styrene, p-bromo,1-4-bromophenyl ethylene,unii-tvk4s80xlu,p-bromo styrene,1-bromo-4-vinyl-benzene,tvk4s80xlu PubChem CID: 16263 IUPAC Name: 1-bromo-4-ethenylbenzene SMILES: BrC1=CC=C(C=C)C=C1

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Specifications

PubChem CID	16263
CAS	2039-82-9
Molecular Weight (g/mol)	183.05
MDL Number	MFCD00000110
SMILES	BrC1=CC=C(C=C)C=C1
Synonym	4-bromostyrene,1-bromo-4-vinylbenzene,p-bromostyrene,benzene, 1-bromo-4-ethenyl,styrene, p-bromo,1-4-bromophenyl ethylene,unii-tvk4s80xlu,p-bromo styrene,1-bromo-4-vinyl-benzene,tvk4s80xlu
IUPAC Name	1-bromo-4-ethenylbenzene
InChI Key	WGGLDBIZIQMEGH-UHFFFAOYSA-N
Molecular Formula	C8H7Br

3,710

(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, 98%

CAS: 17257-71-5 Molecular Formula: C10H8F3O3 Molecular Weight (g/mol): 233.17 MDL Number: MFCD00064200 InChI Key: JJYKJUXBWFATTE-VIFPVBQESA-M Synonym: s---alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--mosher's acid,--mtpa,unii-172hcj1iqv,172hcj1iqv,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s---mtpa,--a-methoxy-a-trifluoromethylphenylacetic acid PubChem CID: 6992788 SMILES: CO[C@](C([O-])=O)(C1=CC=CC=C1)C(F)(F)F

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Specifications

PubChem CID	6992788
CAS	17257-71-5
Molecular Weight (g/mol)	233.17
MDL Number	MFCD00064200
SMILES	CO[C@](C([O-])=O)(C1=CC=CC=C1)C(F)(F)F
Synonym	s---alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--mosher's acid,--mtpa,unii-172hcj1iqv,172hcj1iqv,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s---mtpa,--a-methoxy-a-trifluoromethylphenylacetic acid
InChI Key	JJYKJUXBWFATTE-VIFPVBQESA-M
Molecular Formula	C10H8F3O3

3,711

3-Bromophenol, 98%

CAS: 591-20-8 Molecular Formula: C6H5BrO Molecular Weight (g/mol): 173.01 MDL Number: MFCD00002253 InChI Key: MNOJRWOWILAHAV-UHFFFAOYSA-N Synonym: m-bromophenol,phenol, 3-bromo,3-bromo phenol,3-bromo-phenol,phenol, m-bromo,unii-vmu0x6956y,meta bromophenol,meta-bromophenol,3 bromophenol,3-bromanylphenol PubChem CID: 11563 IUPAC Name: 3-bromophenol SMILES: OC1=CC=CC(Br)=C1

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Specifications

PubChem CID	11563
CAS	591-20-8
Molecular Weight (g/mol)	173.01
MDL Number	MFCD00002253
SMILES	OC1=CC=CC(Br)=C1
Synonym	m-bromophenol,phenol, 3-bromo,3-bromo phenol,3-bromo-phenol,phenol, m-bromo,unii-vmu0x6956y,meta bromophenol,meta-bromophenol,3 bromophenol,3-bromanylphenol
IUPAC Name	3-bromophenol
InChI Key	MNOJRWOWILAHAV-UHFFFAOYSA-N
Molecular Formula	C6H5BrO

3,712

4-Phenoxybenzaldehyde, 98%

CAS: 67-36-7 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00003383 InChI Key: QWLHJVDRPZNVBS-UHFFFAOYSA-N Synonym: p-phenoxybenzaldehyde,4-formyldiphenyl ether,benzaldehyde, p-phenoxy,benzaldehyde, 4-phenoxy,4-phenoxy-benzaldehyde,4-phenyloxy benzaldehyde,diphenyl ether 4-carboxaldehyde,zlchem 548,4-formyldiphenylether,4-phenoxy benzaldehyde PubChem CID: 66139 IUPAC Name: 4-phenoxybenzaldehyde SMILES: O=CC1=CC=C(OC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	66139
CAS	67-36-7
Molecular Weight (g/mol)	198.22
MDL Number	MFCD00003383
SMILES	O=CC1=CC=C(OC2=CC=CC=C2)C=C1
Synonym	p-phenoxybenzaldehyde,4-formyldiphenyl ether,benzaldehyde, p-phenoxy,benzaldehyde, 4-phenoxy,4-phenoxy-benzaldehyde,4-phenyloxy benzaldehyde,diphenyl ether 4-carboxaldehyde,zlchem 548,4-formyldiphenylether,4-phenoxy benzaldehyde
IUPAC Name	4-phenoxybenzaldehyde
InChI Key	QWLHJVDRPZNVBS-UHFFFAOYSA-N
Molecular Formula	C13H10O2

3,713

Triphenylphosphine dibromide, ca. 33% bromine

CAS: 1034-39-5 Molecular Formula: C18H15Br2P Molecular Weight (g/mol): 422.10 MDL Number: MFCD00000054 InChI Key: OCXGTPDKNBIOTF-UHFFFAOYSA-N Synonym: dibromotriphenylphosphorane,phosphorane, dibromotriphenyl,triphenyldibromophosphorane,unii-7y0j6r63jd,bromotriphenylphosphonium bromide,dibromotriphenyl-??-phosphane,dibromotriphenylphosphine,dibromtriphenylphosphorane,triphenylphosphinedibromide,dibromo triphenylphosphorane PubChem CID: 70579 IUPAC Name: dibromo(triphenyl)-$l^{5}-phosphane SMILES: BrP(Br)(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	70579
CAS	1034-39-5
Molecular Weight (g/mol)	422.10
MDL Number	MFCD00000054
SMILES	BrP(Br)(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	dibromotriphenylphosphorane,phosphorane, dibromotriphenyl,triphenyldibromophosphorane,unii-7y0j6r63jd,bromotriphenylphosphonium bromide,dibromotriphenyl-??-phosphane,dibromotriphenylphosphine,dibromtriphenylphosphorane,triphenylphosphinedibromide,dibromo triphenylphosphorane
IUPAC Name	dibromo(triphenyl)-$l^{5}-phosphane
InChI Key	OCXGTPDKNBIOTF-UHFFFAOYSA-N
Molecular Formula	C18H15Br2P

3,714

4-(Trifluoromethoxy)phenol, 98%

CAS: 828-27-3 Molecular Formula: C7H5F3O2 Molecular Weight (g/mol): 178.11 MDL Number: MFCD00040988 InChI Key: WDRJNKMAZMEYOF-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy phenol,p-trifluoromethoxy phenol,phenol, 4-trifluoromethoxy,4-hydroxytrifluoromethoxybenzene,4-trifluoromethoxy-phenol,4-hydroxyphenyl trifluoromethyl ether,p-trifluoromethoxyphenol PubChem CID: 70015 IUPAC Name: 4-(trifluoromethoxy)phenol SMILES: OC1=CC=C(OC(F)(F)F)C=C1

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Specifications

PubChem CID	70015
CAS	828-27-3
Molecular Weight (g/mol)	178.11
MDL Number	MFCD00040988
SMILES	OC1=CC=C(OC(F)(F)F)C=C1
Synonym	4-trifluoromethoxy phenol,p-trifluoromethoxy phenol,phenol, 4-trifluoromethoxy,4-hydroxytrifluoromethoxybenzene,4-trifluoromethoxy-phenol,4-hydroxyphenyl trifluoromethyl ether,p-trifluoromethoxyphenol
IUPAC Name	4-(trifluoromethoxy)phenol
InChI Key	WDRJNKMAZMEYOF-UHFFFAOYSA-N
Molecular Formula	C7H5F3O2

3,715

Benzyltrimethylammonium dichloroiodate, 99%

CAS: 114971-52-7 Molecular Formula: C₁₀H₁₆Cl₂IN Molecular Weight (g/mol): 348.04 MDL Number: MFCD00075259 InChI Key: PPDJNZTUDFPAHX-UHFFFAOYSA-N Synonym: benzyltrimethylammonium dichloroiodate,benzyltrimethylammonium dichloroiodide,btma-icl2,benzyl trimethylammonium dichloroiodate,benzyltrimethylazanium; dichloroiodanuide,pubchem21920,benzyltrimethylammoniumdichloroiodate PubChem CID: 2724680 SMILES: C[N+](C)(C)CC1=CC=CC=C1.Cl[I-]Cl

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Specifications

PubChem CID	2724680
CAS	114971-52-7
Molecular Weight (g/mol)	348.04
MDL Number	MFCD00075259
SMILES	C[N+](C)(C)CC1=CC=CC=C1.Cl[I-]Cl
Synonym	benzyltrimethylammonium dichloroiodate,benzyltrimethylammonium dichloroiodide,btma-icl2,benzyl trimethylammonium dichloroiodate,benzyltrimethylazanium; dichloroiodanuide,pubchem21920,benzyltrimethylammoniumdichloroiodate
InChI Key	PPDJNZTUDFPAHX-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₆Cl₂IN

3,716

N-BOC-DL-2-Aminotetralin-2-carboxylic acid, 98%, Thermo Scientific™

CAS: 98569-12-1 MDL Number: MFCD00800586 InChI Key: DSDQZWPRZHNCIX-UHFFFAOYSA-N Synonym: 2-boc-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid,2-n-boc-amino-tetrahydro-2-naphthoic acid,2-tert-butoxycarbonylamino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid,n-boc-dl-2-aminotetralin-2-carboxylic acid,2-n-boc-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid,2-tert-butoxycarbonyl amino-3,4-dihydro-1h-naphthalene-2-carboxylic acid,2-tert-butoxy carbonylamino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid,2-tert-butoxycarbonyl amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid,boc-atc PubChem CID: 2733177 IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid SMILES: CC(C)(C)OC(=O)NC1(CCC2=CC=CC=C2C1)C(=O)O

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Specifications

PubChem CID	2733177
CAS	98569-12-1
MDL Number	MFCD00800586
SMILES	CC(C)(C)OC(=O)NC1(CCC2=CC=CC=C2C1)C(=O)O
Synonym	2-boc-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid,2-n-boc-amino-tetrahydro-2-naphthoic acid,2-tert-butoxycarbonylamino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid,n-boc-dl-2-aminotetralin-2-carboxylic acid,2-n-boc-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid,2-tert-butoxycarbonyl amino-3,4-dihydro-1h-naphthalene-2-carboxylic acid,2-tert-butoxy carbonylamino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid,2-tert-butoxycarbonyl amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid,boc-atc
IUPAC Name	2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
InChI Key	DSDQZWPRZHNCIX-UHFFFAOYSA-N

3,717

2,4,6-Trichlorobenzoyl chloride, 98%

CAS: 4136-95-2 Molecular Formula: C7H2Cl4O Molecular Weight (g/mol): 243.89 MDL Number: MFCD00075323 InChI Key: OZGSEIVTQLXWRO-UHFFFAOYSA-N Synonym: 2,4,6-trichlorobenzoylchloride,benzoyl chloride, 2,4,6-trichloro,mi,acmc-209jk3,ksc494s2p,2,4,6-cl3c6h2cocl,2,4,6-ttrichlorobenzoyl chloride,2,4,6-trichloro benzoyl chloride,2,4,6-trichlorobenzoic acid chloride,2,4,6-tris chloranyl benzoyl chloride PubChem CID: 2733703 IUPAC Name: 2,4,6-trichlorobenzoyl chloride SMILES: ClC(=O)C1=C(Cl)C=C(Cl)C=C1Cl

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Specifications

PubChem CID	2733703
CAS	4136-95-2
Molecular Weight (g/mol)	243.89
MDL Number	MFCD00075323
SMILES	ClC(=O)C1=C(Cl)C=C(Cl)C=C1Cl
Synonym	2,4,6-trichlorobenzoylchloride,benzoyl chloride, 2,4,6-trichloro,mi,acmc-209jk3,ksc494s2p,2,4,6-cl3c6h2cocl,2,4,6-ttrichlorobenzoyl chloride,2,4,6-trichloro benzoyl chloride,2,4,6-trichlorobenzoic acid chloride,2,4,6-tris chloranyl benzoyl chloride
IUPAC Name	2,4,6-trichlorobenzoyl chloride
InChI Key	OZGSEIVTQLXWRO-UHFFFAOYSA-N
Molecular Formula	C7H2Cl4O

3,718

Ethyl 4-iodobenzoate, 97%

CAS: 51934-41-9 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.07 MDL Number: MFCD00017344 InChI Key: YCBJOQUNPLTBGG-UHFFFAOYSA-N Synonym: p-iodobenzoic acid ethyl ester,4-iodobenzoic acid ethyl ester,ethyl p-iodobenzoate,ethyl-4-iodobenzoate,benzoicacid,4-iodo-,ethylester,4-iodo-benzoic acid ethyl ester,benzoic acid, 4-iodo-, ethyl ester,ethyl4-iodobenzoate,ethyl-4 iodobenzoate,ethyl,4-iodobenzoate PubChem CID: 142891 IUPAC Name: ethyl 4-iodobenzoate SMILES: CCOC(=O)C1=CC=C(I)C=C1

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Specifications

PubChem CID	142891
CAS	51934-41-9
Molecular Weight (g/mol)	276.07
MDL Number	MFCD00017344
SMILES	CCOC(=O)C1=CC=C(I)C=C1
Synonym	p-iodobenzoic acid ethyl ester,4-iodobenzoic acid ethyl ester,ethyl p-iodobenzoate,ethyl-4-iodobenzoate,benzoicacid,4-iodo-,ethylester,4-iodo-benzoic acid ethyl ester,benzoic acid, 4-iodo-, ethyl ester,ethyl4-iodobenzoate,ethyl-4 iodobenzoate,ethyl,4-iodobenzoate
IUPAC Name	ethyl 4-iodobenzoate
InChI Key	YCBJOQUNPLTBGG-UHFFFAOYSA-N
Molecular Formula	C9H9IO2

3,719

Aminodiphenylmethane, 97%

CAS: 91-00-9 Molecular Formula: C₁₃H₁₃N Molecular Weight (g/mol): 183.25 MDL Number: MFCD00008059 InChI Key: MGHPNCMVUAKAIE-UHFFFAOYSA-N Synonym: aminodiphenylmethane,benzhydrylamine,1,1-diphenylmethylamine,diphenylmethyl amine,1,1-diphenylmethanamine,alpha-aminodiphenylmethane,methanamine, 1,1-diphenyl,alpha-phenylbenzylamine,benzhydrylamin,benzhydryl amine PubChem CID: 7036 IUPAC Name: diphenylmethanamine SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)N

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Specifications

PubChem CID	7036
CAS	91-00-9
Molecular Weight (g/mol)	183.25
MDL Number	MFCD00008059
SMILES	C1=CC=C(C=C1)C(C2=CC=CC=C2)N
Synonym	aminodiphenylmethane,benzhydrylamine,1,1-diphenylmethylamine,diphenylmethyl amine,1,1-diphenylmethanamine,alpha-aminodiphenylmethane,methanamine, 1,1-diphenyl,alpha-phenylbenzylamine,benzhydrylamin,benzhydryl amine
IUPAC Name	diphenylmethanamine
InChI Key	MGHPNCMVUAKAIE-UHFFFAOYSA-N
Molecular Formula	C₁₃H₁₃N

3,720

4-Fluorophenyl sulfone, 99%

CAS: 383-29-9 Molecular Formula: C12H8F2O2S Molecular Weight (g/mol): 254.25 MDL Number: MFCD00000350 InChI Key: PLVUIVUKKJTSDM-UHFFFAOYSA-N Synonym: 4-fluorophenyl sulfone,bis p-fluorophenyl sulfone,4,4'-sulfonylbis fluorobenzene,bis 4-fluorophenyl sulfone,4,4'-difluorodiphenyl sulfone,4-fluorophenyl sulphone,4-fluorophenylsulfone,benzene, 1,1'-sulfonylbis 4-fluoro,4,4'-difluorodiphenyl sulphone PubChem CID: 67842 IUPAC Name: 1-fluoro-4-(4-fluorophenyl)sulfonylbenzene SMILES: FC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(F)C=C1

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Specifications

PubChem CID	67842
CAS	383-29-9
Molecular Weight (g/mol)	254.25
MDL Number	MFCD00000350
SMILES	FC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(F)C=C1
Synonym	4-fluorophenyl sulfone,bis p-fluorophenyl sulfone,4,4'-sulfonylbis fluorobenzene,bis 4-fluorophenyl sulfone,4,4'-difluorodiphenyl sulfone,4-fluorophenyl sulphone,4-fluorophenylsulfone,benzene, 1,1'-sulfonylbis 4-fluoro,4,4'-difluorodiphenyl sulphone
IUPAC Name	1-fluoro-4-(4-fluorophenyl)sulfonylbenzene
InChI Key	PLVUIVUKKJTSDM-UHFFFAOYSA-N
Molecular Formula	C12H8F2O2S

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