Benzene and substituted derivatives
Filtered Search Results
4-Bromo-2-chloro-1-fluorobenzene, 98+%
CAS: 60811-21-4 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.44 MDL Number: MFCD00051794 InChI Key: CJTIWGBQCVYTQE-UHFFFAOYSA-N Synonym: 1-bromo-3-chloro-4-fluorobenzene,3-chloro-4-fluorobromobenzene,4-bromo-2-chlorofluorobenzene,3-chloro-4-fluorobenzene bromide,4-bromo-2-chloro-fluorobenzene,4-bromo-2-chloro-1-fluoro-benzene,benzene, 4-bromo-2-chloro-1-fluoro,pubchem2169,acmc-209mma,ksc493o4n PubChem CID: 3543065 IUPAC Name: 4-bromo-2-chloro-1-fluorobenzene SMILES: FC1=C(Cl)C=C(Br)C=C1
| PubChem CID | 3543065 |
|---|---|
| CAS | 60811-21-4 |
| Molecular Weight (g/mol) | 209.44 |
| MDL Number | MFCD00051794 |
| SMILES | FC1=C(Cl)C=C(Br)C=C1 |
| Synonym | 1-bromo-3-chloro-4-fluorobenzene,3-chloro-4-fluorobromobenzene,4-bromo-2-chlorofluorobenzene,3-chloro-4-fluorobenzene bromide,4-bromo-2-chloro-fluorobenzene,4-bromo-2-chloro-1-fluoro-benzene,benzene, 4-bromo-2-chloro-1-fluoro,pubchem2169,acmc-209mma,ksc493o4n |
| IUPAC Name | 4-bromo-2-chloro-1-fluorobenzene |
| InChI Key | CJTIWGBQCVYTQE-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClF |
2-Chloro-6-nitrobenzoic acid, 99%
CAS: 5344-49-0 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00100425 InChI Key: JYHOMEFOTKWQPN-UHFFFAOYSA-N Synonym: 2-chloro-6-nitrobenzoic acid,2-chloro-6-nitro-benzoic acid,6-chloro-2-nitrobenzoic acid,benzoic acid, 2-chloro-6-nitro,pubchem20037,6-chloro-2-nitrobenzo,acmc-209l7b,2-chloro-6-nitrobenzoicacid,2-carboxy-3-chloronitrobenzene,2-chloro-6-nitrobenzoic acid # PubChem CID: 79287 SMILES: C1=CC(=C(C(=C1)Cl)C(=O)O)[N+](=O)[O-]
| PubChem CID | 79287 |
|---|---|
| CAS | 5344-49-0 |
| Molecular Weight (g/mol) | 201.562 |
| MDL Number | MFCD00100425 |
| SMILES | C1=CC(=C(C(=C1)Cl)C(=O)O)[N+](=O)[O-] |
| Synonym | 2-chloro-6-nitrobenzoic acid,2-chloro-6-nitro-benzoic acid,6-chloro-2-nitrobenzoic acid,benzoic acid, 2-chloro-6-nitro,pubchem20037,6-chloro-2-nitrobenzo,acmc-209l7b,2-chloro-6-nitrobenzoicacid,2-carboxy-3-chloronitrobenzene,2-chloro-6-nitrobenzoic acid # |
| InChI Key | JYHOMEFOTKWQPN-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClNO4 |
Methyl 3-bromo-5-hydroxybenzoate, 97%, Thermo Scientific Chemicals
CAS: 192810-12-1 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.045 MDL Number: MFCD10566800 InChI Key: KRTBWIIGEJIUSA-UHFFFAOYSA-N Synonym: 3-bromo-5-hydroxybenzoic acid methyl ester,acmc-209f1w,methyl3-bromo-5-hydroxybenzoate,methyl 3-bromo-5-hydroxylbenzoate,3-bromo-5-hydroxy-benzoic acid methyl ester,benzoic acid,3-bromo-5-hydroxy-,methyl ester,benzoic acid, 3-bromo-5-hydroxy-, methyl ester PubChem CID: 53216607 IUPAC Name: methyl 3-bromo-5-hydroxybenzoate SMILES: COC(=O)C1=CC(=CC(=C1)Br)O
| PubChem CID | 53216607 |
|---|---|
| CAS | 192810-12-1 |
| Molecular Weight (g/mol) | 231.045 |
| MDL Number | MFCD10566800 |
| SMILES | COC(=O)C1=CC(=CC(=C1)Br)O |
| Synonym | 3-bromo-5-hydroxybenzoic acid methyl ester,acmc-209f1w,methyl3-bromo-5-hydroxybenzoate,methyl 3-bromo-5-hydroxylbenzoate,3-bromo-5-hydroxy-benzoic acid methyl ester,benzoic acid,3-bromo-5-hydroxy-,methyl ester,benzoic acid, 3-bromo-5-hydroxy-, methyl ester |
| IUPAC Name | methyl 3-bromo-5-hydroxybenzoate |
| InChI Key | KRTBWIIGEJIUSA-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO3 |
5-Amino-2-chlorobenzoic acid, 98+%
CAS: 89-54-3 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007845 InChI Key: GVCFFVPEOLCYNN-UHFFFAOYSA-N Synonym: 2-chloro-5-aminobenzoic acid,benzoic acid, 5-amino-2-chloro,3-amino-6-chlorobenzoic acid,5-amino-2-chloro-benzoic acid,5-amino-2-chlorobenzoicacid,3-carboxy-4-chloroaniline,5-amino-2-chloro benzoic acid,zlchem 462,pubchem4654,acmc-209r1l PubChem CID: 37879 IUPAC Name: 5-amino-2-chlorobenzoic acid SMILES: NC1=CC=C(Cl)C(=C1)C(O)=O
| PubChem CID | 37879 |
|---|---|
| CAS | 89-54-3 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00007845 |
| SMILES | NC1=CC=C(Cl)C(=C1)C(O)=O |
| Synonym | 2-chloro-5-aminobenzoic acid,benzoic acid, 5-amino-2-chloro,3-amino-6-chlorobenzoic acid,5-amino-2-chloro-benzoic acid,5-amino-2-chlorobenzoicacid,3-carboxy-4-chloroaniline,5-amino-2-chloro benzoic acid,zlchem 462,pubchem4654,acmc-209r1l |
| IUPAC Name | 5-amino-2-chlorobenzoic acid |
| InChI Key | GVCFFVPEOLCYNN-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
3-(Trifluoromethylthio)benzoic acid, 97%
CAS: 946-65-6 Molecular Formula: C8H4F3O2S Molecular Weight (g/mol): 221.17 MDL Number: MFCD00236337 InChI Key: IVGAPIVNQABETQ-UHFFFAOYSA-M Synonym: 3-trifluoromethylthio benzoic acid,3-trifluoromethyl thio benzoic acid,3-trifluoromethyl sulfanyl benzoic acid,3-trifluoromethylsulfanyl benzoic acid,3-trifluoromethylsulfanyl-benzoic acid,benzoic acid, 3-trifluoromethyl thio,3-trifluoromethyl sulphanyl benzoic acid,3-trifluoromethylthio benzoicacid,3-carboxyphenyl trifluoromethyl sulphide PubChem CID: 688330 IUPAC Name: 3-(trifluoromethylsulfanyl)benzoic acid SMILES: [O-]C(=O)C1=CC=CC(SC(F)(F)F)=C1
| PubChem CID | 688330 |
|---|---|
| CAS | 946-65-6 |
| Molecular Weight (g/mol) | 221.17 |
| MDL Number | MFCD00236337 |
| SMILES | [O-]C(=O)C1=CC=CC(SC(F)(F)F)=C1 |
| Synonym | 3-trifluoromethylthio benzoic acid,3-trifluoromethyl thio benzoic acid,3-trifluoromethyl sulfanyl benzoic acid,3-trifluoromethylsulfanyl benzoic acid,3-trifluoromethylsulfanyl-benzoic acid,benzoic acid, 3-trifluoromethyl thio,3-trifluoromethyl sulphanyl benzoic acid,3-trifluoromethylthio benzoicacid,3-carboxyphenyl trifluoromethyl sulphide |
| IUPAC Name | 3-(trifluoromethylsulfanyl)benzoic acid |
| InChI Key | IVGAPIVNQABETQ-UHFFFAOYSA-M |
| Molecular Formula | C8H4F3O2S |
2,6-Dichlorobenzoic acid, 97%
CAS: 50-30-6 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.01 MDL Number: MFCD00002418 InChI Key: MRUDNSFOFOQZDA-UHFFFAOYSA-N Synonym: benzoic acid, 2,6-dichloro,2,6-dichloro-benzoic acid,unii-634ri764qt,2,6 dichlorobenzoic acid,2,6-dichlorobenzoicacid,2,6-dichloro-benzoicacid,ccris 8610,pubchem20028,acmc-1auop,2.6-dichlorobenzoic acid PubChem CID: 5758 ChEBI: CHEBI:48623 IUPAC Name: 2,6-dichlorobenzoic acid SMILES: OC(=O)C1=C(Cl)C=CC=C1Cl
| PubChem CID | 5758 |
|---|---|
| CAS | 50-30-6 |
| Molecular Weight (g/mol) | 191.01 |
| ChEBI | CHEBI:48623 |
| MDL Number | MFCD00002418 |
| SMILES | OC(=O)C1=C(Cl)C=CC=C1Cl |
| Synonym | benzoic acid, 2,6-dichloro,2,6-dichloro-benzoic acid,unii-634ri764qt,2,6 dichlorobenzoic acid,2,6-dichlorobenzoicacid,2,6-dichloro-benzoicacid,ccris 8610,pubchem20028,acmc-1auop,2.6-dichlorobenzoic acid |
| IUPAC Name | 2,6-dichlorobenzoic acid |
| InChI Key | MRUDNSFOFOQZDA-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O2 |
1-Bromo-4-(n-octyloxy)benzene, 98%
CAS: 96693-05-9 Molecular Formula: C14H21BrO Molecular Weight (g/mol): 285.225 MDL Number: MFCD00043445 InChI Key: UVBFFPZGOOKWNR-UHFFFAOYSA-N Synonym: p-bromophenyl octyl ether,1-bromo-4-octyloxy benzene,1-bromo-4-octyloxybenzene,4-n-octyloxybromobenzene,1-bromo-4-n-octyloxy benzene,4-bromo-1-octyloxybenzene,4-octyloxybromobenzene,4-bromo-octyloxybenzene,4-bromophenyloctyl ether,1-4-bromophenoxy octane PubChem CID: 145298 IUPAC Name: 1-bromo-4-octoxybenzene SMILES: CCCCCCCCOC1=CC=C(C=C1)Br
| PubChem CID | 145298 |
|---|---|
| CAS | 96693-05-9 |
| Molecular Weight (g/mol) | 285.225 |
| MDL Number | MFCD00043445 |
| SMILES | CCCCCCCCOC1=CC=C(C=C1)Br |
| Synonym | p-bromophenyl octyl ether,1-bromo-4-octyloxy benzene,1-bromo-4-octyloxybenzene,4-n-octyloxybromobenzene,1-bromo-4-n-octyloxy benzene,4-bromo-1-octyloxybenzene,4-octyloxybromobenzene,4-bromo-octyloxybenzene,4-bromophenyloctyl ether,1-4-bromophenoxy octane |
| IUPAC Name | 1-bromo-4-octoxybenzene |
| InChI Key | UVBFFPZGOOKWNR-UHFFFAOYSA-N |
| Molecular Formula | C14H21BrO |
4-Fluoro-3-nitrobenzaldehyde, 98%, Thermo Scientific Chemicals
CAS: 42564-51-2 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.111 MDL Number: MFCD01861388 InChI Key: ILKWFRCNNILIJW-UHFFFAOYSA-N Synonym: 3-nitro-4-fluorobenzaldehyde,benzaldehyde, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzaldehyde,pubchem22572,acmc-1ao2q,3-nitro-4 fluorobenzaldehyde,ksc497m9r,2-fluoro-5-formylnitrobenzene,#,4-fluoranyl-3-nitro-benzaldehyde PubChem CID: 598129 IUPAC Name: 4-fluoro-3-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)[N+](=O)[O-])F
| PubChem CID | 598129 |
|---|---|
| CAS | 42564-51-2 |
| Molecular Weight (g/mol) | 169.111 |
| MDL Number | MFCD01861388 |
| SMILES | C1=CC(=C(C=C1C=O)[N+](=O)[O-])F |
| Synonym | 3-nitro-4-fluorobenzaldehyde,benzaldehyde, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzaldehyde,pubchem22572,acmc-1ao2q,3-nitro-4 fluorobenzaldehyde,ksc497m9r,2-fluoro-5-formylnitrobenzene,#,4-fluoranyl-3-nitro-benzaldehyde |
| IUPAC Name | 4-fluoro-3-nitrobenzaldehyde |
| InChI Key | ILKWFRCNNILIJW-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO3 |
1,2,3-Trimethoxybenzene, 98%
CAS: 634-36-6 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 MDL Number: MFCD00008358 InChI Key: CRUILBNAQILVHZ-UHFFFAOYSA-N Synonym: methylsyringol,pyrogallol trimethyl ether,trimethoxybenzene,benzene, 1,2,3-trimethoxy,tri-o-methylpyrogallol,benzene, trimethoxy,unii-mre1o894fg,1,2,3-trimethoxy benzene,mre1o894fg,3,4,5-trimethoxybenzene PubChem CID: 12462 ChEBI: CHEBI:86529 IUPAC Name: 1,2,3-trimethoxybenzene SMILES: COC1=C(C(=CC=C1)OC)OC
| PubChem CID | 12462 |
|---|---|
| CAS | 634-36-6 |
| Molecular Weight (g/mol) | 168.19 |
| ChEBI | CHEBI:86529 |
| MDL Number | MFCD00008358 |
| SMILES | COC1=C(C(=CC=C1)OC)OC |
| Synonym | methylsyringol,pyrogallol trimethyl ether,trimethoxybenzene,benzene, 1,2,3-trimethoxy,tri-o-methylpyrogallol,benzene, trimethoxy,unii-mre1o894fg,1,2,3-trimethoxy benzene,mre1o894fg,3,4,5-trimethoxybenzene |
| IUPAC Name | 1,2,3-trimethoxybenzene |
| InChI Key | CRUILBNAQILVHZ-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
2-Bromo-5-nitrobenzoic acid, Thermo Scientific™
CAS: 943-14-6 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.02 MDL Number: MFCD00134558 InChI Key: UVFWYVCDRKRAJH-UHFFFAOYSA-N Synonym: 2-bromo-5-nitrobenzoic acid,2-bromo-5-nitrobenzic acid,benzoic acid, 2-bromo-5-nitro,2-bromo-5-nitrobenzoicacid,2-bromo-5-nitro benzoic acid,pubchem3821,acmc-209rrc,ksc494m1r,paragos 440009,timtec-bb sbb003179 PubChem CID: 243025 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Br
| PubChem CID | 243025 |
|---|---|
| CAS | 943-14-6 |
| Molecular Weight (g/mol) | 246.02 |
| MDL Number | MFCD00134558 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Br |
| Synonym | 2-bromo-5-nitrobenzoic acid,2-bromo-5-nitrobenzic acid,benzoic acid, 2-bromo-5-nitro,2-bromo-5-nitrobenzoicacid,2-bromo-5-nitro benzoic acid,pubchem3821,acmc-209rrc,ksc494m1r,paragos 440009,timtec-bb sbb003179 |
| InChI Key | UVFWYVCDRKRAJH-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO4 |
N-[3-(2-Furyl)benzyl]-N-methylamine, ≥97%, Thermo Scientific™
CAS: 857284-27-6 Molecular Formula: C12H13NO Molecular Weight (g/mol): 187.242 MDL Number: MFCD08435877 InChI Key: WMCXJYGZLCREMM-UHFFFAOYSA-N Synonym: n-3-2-furyl benzyl-n-methylamine,3-furan-2-yl phenyl methyl methyl amine,1-3-furan-2-yl phenyl-n-methylmethanamine,3-2-furyl phenyl methyl methylamine,benzenemethanamine,3-2-furanyl-n-methyl PubChem CID: 18525790 IUPAC Name: 1-[3-(furan-2-yl)phenyl]-N-methylmethanamine SMILES: CNCC1=CC=CC(=C1)C2=CC=CO2
| PubChem CID | 18525790 |
|---|---|
| CAS | 857284-27-6 |
| Molecular Weight (g/mol) | 187.242 |
| MDL Number | MFCD08435877 |
| SMILES | CNCC1=CC=CC(=C1)C2=CC=CO2 |
| Synonym | n-3-2-furyl benzyl-n-methylamine,3-furan-2-yl phenyl methyl methyl amine,1-3-furan-2-yl phenyl-n-methylmethanamine,3-2-furyl phenyl methyl methylamine,benzenemethanamine,3-2-furanyl-n-methyl |
| IUPAC Name | 1-[3-(furan-2-yl)phenyl]-N-methylmethanamine |
| InChI Key | WMCXJYGZLCREMM-UHFFFAOYSA-N |
| Molecular Formula | C12H13NO |
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
| 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 |
[2-(Tetrahydropyran-4-yloxy)phenyl]methanol, 97%, Thermo Scientific™
CAS: 478189-93-4 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD09064960 InChI Key: RMRHXMQGVDIPCL-UHFFFAOYSA-N Synonym: 2-tetrahydropyran-4-yloxy phenyl methanol,2-oxan-4-yloxy phenyl methanol,2-oxan-4-yl oxy phenyl methanol,2-tetrahydro-2h-pyran-4-yloxy phenyl methanol,2-tetrahydro-2h-pyran-4-yl oxy phenyl methanol,2-2h-3,4,5,6-tetrahydropyran-4-yloxy phenyl methan-1-ol PubChem CID: 22932192 IUPAC Name: [2-(oxan-4-yloxy)phenyl]methanol SMILES: C1COCCC1OC2=CC=CC=C2CO
| PubChem CID | 22932192 |
|---|---|
| CAS | 478189-93-4 |
| Molecular Weight (g/mol) | 208.257 |
| MDL Number | MFCD09064960 |
| SMILES | C1COCCC1OC2=CC=CC=C2CO |
| Synonym | 2-tetrahydropyran-4-yloxy phenyl methanol,2-oxan-4-yloxy phenyl methanol,2-oxan-4-yl oxy phenyl methanol,2-tetrahydro-2h-pyran-4-yloxy phenyl methanol,2-tetrahydro-2h-pyran-4-yl oxy phenyl methanol,2-2h-3,4,5,6-tetrahydropyran-4-yloxy phenyl methan-1-ol |
| IUPAC Name | [2-(oxan-4-yloxy)phenyl]methanol |
| InChI Key | RMRHXMQGVDIPCL-UHFFFAOYSA-N |
| Molecular Formula | C12H16O3 |
2-sec-Butylphenol, 98%
CAS: 89-72-5 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00002225 InChI Key: NGFPWHGISWUQOI-UHFFFAOYSA-N Synonym: 2-sec-butylphenol,o-sec-butylphenol,2-1-methylpropyl phenol,2-2-butyl phenol,phenol, 2-1-methylpropyl,2-butan-2-yl phenol,phenol, o-sec-butyl,2-sec.butylfenol,isopropyl o-cresol,2-sec.butylfenol czech PubChem CID: 6984 ChEBI: CHEBI:34303 IUPAC Name: 2-butan-2-ylphenol SMILES: CCC(C)C1=CC=CC=C1O
| PubChem CID | 6984 |
|---|---|
| CAS | 89-72-5 |
| Molecular Weight (g/mol) | 150.221 |
| ChEBI | CHEBI:34303 |
| MDL Number | MFCD00002225 |
| SMILES | CCC(C)C1=CC=CC=C1O |
| Synonym | 2-sec-butylphenol,o-sec-butylphenol,2-1-methylpropyl phenol,2-2-butyl phenol,phenol, 2-1-methylpropyl,2-butan-2-yl phenol,phenol, o-sec-butyl,2-sec.butylfenol,isopropyl o-cresol,2-sec.butylfenol czech |
| IUPAC Name | 2-butan-2-ylphenol |
| InChI Key | NGFPWHGISWUQOI-UHFFFAOYSA-N |
| Molecular Formula | C10H14O |
2-(4-Chlorophenyl)-3-oxopropanenitrile, 95%, Thermo Scientific™
CAS: 62538-21-0 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.60 MDL Number: MFCD00052669 InChI Key: DAEXXSXAEMFPHQ-UHFFFAOYNA-N Synonym: 2-4-chlorophenyl-3-oxopropanenitrile,2-4-chlorophenyl-2-cyanoacetaldehyde,usaf el-67,alpha-formyl-p-chlorophenylacetonitrile,acetonitrile, 2-p-chlorophenyl-2-formyl,benzeneacetonitrile, 4-chloro-.alpha.-formyl,3-10-00-03025 beilstein handbook reference,4-chlorophenylcyanoacetaldehyde,benzeneacetonitrile,4-chloro-a-formyl,2-formyl-2-4-chlorophenyl acetonitrile PubChem CID: 44090 IUPAC Name: 2-(4-chlorophenyl)-3-oxopropanenitrile SMILES: ClC1=CC=C(C=C1)C(C=O)C#N
| PubChem CID | 44090 |
|---|---|
| CAS | 62538-21-0 |
| Molecular Weight (g/mol) | 179.60 |
| MDL Number | MFCD00052669 |
| SMILES | ClC1=CC=C(C=C1)C(C=O)C#N |
| Synonym | 2-4-chlorophenyl-3-oxopropanenitrile,2-4-chlorophenyl-2-cyanoacetaldehyde,usaf el-67,alpha-formyl-p-chlorophenylacetonitrile,acetonitrile, 2-p-chlorophenyl-2-formyl,benzeneacetonitrile, 4-chloro-.alpha.-formyl,3-10-00-03025 beilstein handbook reference,4-chlorophenylcyanoacetaldehyde,benzeneacetonitrile,4-chloro-a-formyl,2-formyl-2-4-chlorophenyl acetonitrile |
| IUPAC Name | 2-(4-chlorophenyl)-3-oxopropanenitrile |
| InChI Key | DAEXXSXAEMFPHQ-UHFFFAOYNA-N |
| Molecular Formula | C9H6ClNO |