Benzenoids
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2-[2-(Trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 98.0+%, TCI America™
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CAS: 1073339-21-5 Molecular Formula: C13H16BF3O2 Molecular Weight (g/mol): 272.074 MDL Number: MFCD06795676 InChI Key: HBQNDHPCMDZKNT-UHFFFAOYSA-N Synonym: 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)benzene PubChem CID: 17750282 IUPAC Name: 4,4,5,5-tetramethyl-2-[2-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(F)(F)F
| PubChem CID | 17750282 |
|---|---|
| CAS | 1073339-21-5 |
| Molecular Weight (g/mol) | 272.074 |
| MDL Number | MFCD06795676 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(F)(F)F |
| Synonym | 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)benzene |
| IUPAC Name | 4,4,5,5-tetramethyl-2-[2-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane |
| InChI Key | HBQNDHPCMDZKNT-UHFFFAOYSA-N |
| Molecular Formula | C13H16BF3O2 |
2-Methyl-6-(trimethylsilyl)phenyl Trifluoromethanesulfonate 96.0+%, TCI America™
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CAS: 556812-44-3 Molecular Formula: C11H15F3O3SSi Molecular Weight (g/mol): 312.38 MDL Number: MFCD10566915 InChI Key: ZCWWZFXNICWDIB-UHFFFAOYSA-N Synonym: 2-Methyl-6-(trimethylsilyl)phenyl Triflate, Trifluoromethanesulfonic Acid 2-Methyl-6-(trimethylsilyl)phenyl Ester, 6-(Trimethylsilyl)-o-tolyl Trifluoromethanesulfonate PubChem CID: 12182646 IUPAC Name: 2-methyl-6-(trimethylsilyl)phenyl trifluoromethanesulfonate SMILES: CC1=C(OS(=O)(=O)C(F)(F)F)C(=CC=C1)[Si](C)(C)C
| PubChem CID | 12182646 |
|---|---|
| CAS | 556812-44-3 |
| Molecular Weight (g/mol) | 312.38 |
| MDL Number | MFCD10566915 |
| SMILES | CC1=C(OS(=O)(=O)C(F)(F)F)C(=CC=C1)[Si](C)(C)C |
| Synonym | 2-Methyl-6-(trimethylsilyl)phenyl Triflate, Trifluoromethanesulfonic Acid 2-Methyl-6-(trimethylsilyl)phenyl Ester, 6-(Trimethylsilyl)-o-tolyl Trifluoromethanesulfonate |
| IUPAC Name | 2-methyl-6-(trimethylsilyl)phenyl trifluoromethanesulfonate |
| InChI Key | ZCWWZFXNICWDIB-UHFFFAOYSA-N |
| Molecular Formula | C11H15F3O3SSi |
Phenyl 1-Hydroxy-2-naphthoate 98.0+%, TCI America™
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CAS: 132-54-7 Molecular Formula: C17H12O3 Molecular Weight (g/mol): 264.28 MDL Number: MFCD00014310 InChI Key: QHDYIMWKSCJTIM-UHFFFAOYSA-N Synonym: phenyl 1-hydroxy-2-naphthoate,1-hydroxy-2-naphthoic acid phenyl ester,2-naphthalenecarboxylic acid, 1-hydroxy-, phenyl ester,phenyl 1-hydroxy-2-naphthalenecarboxylate,unii-0749hk9b6b,phenyl-1-hydroxy-2-naphthate,phenyl-1-hydroxy-2-naphthoate,1-hydroxy-2-naphthalenecarboxylic acid phenyl ester,aon phenyl ester,1-hydroxy-2-naphthoic PubChem CID: 67236 IUPAC Name: phenyl 1-hydroxynaphthalene-2-carboxylate SMILES: C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3C=C2)O
| PubChem CID | 67236 |
|---|---|
| CAS | 132-54-7 |
| Molecular Weight (g/mol) | 264.28 |
| MDL Number | MFCD00014310 |
| SMILES | C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3C=C2)O |
| Synonym | phenyl 1-hydroxy-2-naphthoate,1-hydroxy-2-naphthoic acid phenyl ester,2-naphthalenecarboxylic acid, 1-hydroxy-, phenyl ester,phenyl 1-hydroxy-2-naphthalenecarboxylate,unii-0749hk9b6b,phenyl-1-hydroxy-2-naphthate,phenyl-1-hydroxy-2-naphthoate,1-hydroxy-2-naphthalenecarboxylic acid phenyl ester,aon phenyl ester,1-hydroxy-2-naphthoic |
| IUPAC Name | phenyl 1-hydroxynaphthalene-2-carboxylate |
| InChI Key | QHDYIMWKSCJTIM-UHFFFAOYSA-N |
| Molecular Formula | C17H12O3 |
1-Bromo-3,4-dichlorobenzene 98.0+%, TCI America™
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CAS: 18282-59-2 Molecular Formula: C6H3BrCl2 Molecular Weight (g/mol): 225.89 MDL Number: MFCD00040849 InChI Key: CFPZDVAZISWERM-UHFFFAOYSA-N Synonym: 1-bromo-3,4-dichlorobenzene,3,4-dichlorobromobenzene,benzene, 4-bromo-1,2-dichloro,3,4-dichlorophenyl bromide,3,4-dichloro-1-bromobenzene,4-bromo-1,2-dichloro-benzene,5-bromdichlorbenzol,pubchem3611,acmc-1btol,3,4-dichloro-bromobenzene PubChem CID: 29013 IUPAC Name: 4-bromo-1,2-dichlorobenzene SMILES: ClC1=CC=C(Br)C=C1Cl
| PubChem CID | 29013 |
|---|---|
| CAS | 18282-59-2 |
| Molecular Weight (g/mol) | 225.89 |
| MDL Number | MFCD00040849 |
| SMILES | ClC1=CC=C(Br)C=C1Cl |
| Synonym | 1-bromo-3,4-dichlorobenzene,3,4-dichlorobromobenzene,benzene, 4-bromo-1,2-dichloro,3,4-dichlorophenyl bromide,3,4-dichloro-1-bromobenzene,4-bromo-1,2-dichloro-benzene,5-bromdichlorbenzol,pubchem3611,acmc-1btol,3,4-dichloro-bromobenzene |
| IUPAC Name | 4-bromo-1,2-dichlorobenzene |
| InChI Key | CFPZDVAZISWERM-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrCl2 |
2-Bromo-6-chloro-4-nitroaniline 98.0+%, TCI America™
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CAS: 99-29-6 Molecular Formula: C6H4BrClN2O2 Molecular Weight (g/mol): 251.464 MDL Number: MFCD00014770 InChI Key: GLUCALKKMFBJEB-UHFFFAOYSA-N Synonym: 2-chloro-4-nitro-6-bromoaniline,benzenamine, 2-bromo-6-chloro-4-nitro,6-bromo-2-chloro-4-nitroaniline,6-bromo-2-chloro-4-nitrophenylamine,2-bromo-4-nitro-6-chloroaniline,aniline, 2-bromo-6-chloro-4-nitro,2-bromo-6-chloro-4-nitro-benzenamin,2-bromo-6-chloro-4-nitro-phenylamine,pubchem2333,acmc-209sc7 PubChem CID: 66832 IUPAC Name: 2-bromo-6-chloro-4-nitroaniline SMILES: C1=C(C=C(C(=C1Cl)N)Br)[N+](=O)[O-]
| PubChem CID | 66832 |
|---|---|
| CAS | 99-29-6 |
| Molecular Weight (g/mol) | 251.464 |
| MDL Number | MFCD00014770 |
| SMILES | C1=C(C=C(C(=C1Cl)N)Br)[N+](=O)[O-] |
| Synonym | 2-chloro-4-nitro-6-bromoaniline,benzenamine, 2-bromo-6-chloro-4-nitro,6-bromo-2-chloro-4-nitroaniline,6-bromo-2-chloro-4-nitrophenylamine,2-bromo-4-nitro-6-chloroaniline,aniline, 2-bromo-6-chloro-4-nitro,2-bromo-6-chloro-4-nitro-benzenamin,2-bromo-6-chloro-4-nitro-phenylamine,pubchem2333,acmc-209sc7 |
| IUPAC Name | 2-bromo-6-chloro-4-nitroaniline |
| InChI Key | GLUCALKKMFBJEB-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrClN2O2 |
Dipropyl Tetrachlorophthalate 98.0+%, TCI America™
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CAS: 6928-67-2 Molecular Formula: C14H14Cl4O4 Molecular Weight (g/mol): 388.062 MDL Number: MFCD00059245 InChI Key: QJRSPJSHRYYBJL-UHFFFAOYSA-N Synonym: Tetrachlorophthalic Acid Dipropyl Ester PubChem CID: 81346 IUPAC Name: dipropyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate SMILES: CCCOC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OCCC
| PubChem CID | 81346 |
|---|---|
| CAS | 6928-67-2 |
| Molecular Weight (g/mol) | 388.062 |
| MDL Number | MFCD00059245 |
| SMILES | CCCOC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OCCC |
| Synonym | Tetrachlorophthalic Acid Dipropyl Ester |
| IUPAC Name | dipropyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate |
| InChI Key | QJRSPJSHRYYBJL-UHFFFAOYSA-N |
| Molecular Formula | C14H14Cl4O4 |
Methyl 2,5-Dihydroxycinnamate 96.0+%, TCI America™
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CAS: 63177-57-1 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00132932 InChI Key: BQCNSTFWSKOWMA-GORDUTHDSA-N Synonym: methyl 2,5-dihydroxycinnamate,erbstatin analog,methyl 3-2,5-dihydroxyphenyl acrylate,2,5-dihydroxycinnamic acid methyl ester,2,4-dihydroxymethylcinnamate,2,5-dihydroxymethylcinnamate,chembl17329,methyl 3-2,5-dihydroxyphenyl-2-propenoate,methyl 2e-3-2,5-dihydroxyphenyl prop-2-enoate,2-propenoic acid, 3-2,5-dihydroxyphenyl-, methyl ester PubChem CID: 5353609 ChEBI: CHEBI:84089 IUPAC Name: methyl (2E)-3-(2,5-dihydroxyphenyl)prop-2-enoate SMILES: COC(=O)\C=C\C1=CC(O)=CC=C1O
| PubChem CID | 5353609 |
|---|---|
| CAS | 63177-57-1 |
| Molecular Weight (g/mol) | 194.19 |
| ChEBI | CHEBI:84089 |
| MDL Number | MFCD00132932 |
| SMILES | COC(=O)\C=C\C1=CC(O)=CC=C1O |
| Synonym | methyl 2,5-dihydroxycinnamate,erbstatin analog,methyl 3-2,5-dihydroxyphenyl acrylate,2,5-dihydroxycinnamic acid methyl ester,2,4-dihydroxymethylcinnamate,2,5-dihydroxymethylcinnamate,chembl17329,methyl 3-2,5-dihydroxyphenyl-2-propenoate,methyl 2e-3-2,5-dihydroxyphenyl prop-2-enoate,2-propenoic acid, 3-2,5-dihydroxyphenyl-, methyl ester |
| IUPAC Name | methyl (2E)-3-(2,5-dihydroxyphenyl)prop-2-enoate |
| InChI Key | BQCNSTFWSKOWMA-GORDUTHDSA-N |
| Molecular Formula | C10H10O4 |
(-)-4,5-Bis[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane 97.0+%, TCI America™
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CAS: 93379-48-7 Molecular Formula: C31H30O4 Molecular Weight (g/mol): 466.577 MDL Number: MFCD00064467 InChI Key: OWVIRVJQDVCGQX-VSGBNLITSA-N PubChem CID: 2725026 IUPAC Name: [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol SMILES: CC1(OC(C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C
| PubChem CID | 2725026 |
|---|---|
| CAS | 93379-48-7 |
| Molecular Weight (g/mol) | 466.577 |
| MDL Number | MFCD00064467 |
| SMILES | CC1(OC(C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C |
| IUPAC Name | [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol |
| InChI Key | OWVIRVJQDVCGQX-VSGBNLITSA-N |
| Molecular Formula | C31H30O4 |
3-Methoxybenzonitrile 95.0+%, TCI America™
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CAS: 1527-89-5 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00001801 InChI Key: KLXSUMLEPNAZFK-UHFFFAOYSA-N Synonym: m-cyanoanisole,benzonitrile, 3-methoxy,m-anisonitrile,m-methoxybenzonitrile,3-cyanoanisole,3-anisonitrile,benzonitrile, m-methoxy,3-methoxy-benzonitrile,3-methoxy benzonitrile,m-methoxybenzontrile PubChem CID: 73712 IUPAC Name: 3-methoxybenzonitrile SMILES: COC1=CC=CC(=C1)C#N
| PubChem CID | 73712 |
|---|---|
| CAS | 1527-89-5 |
| Molecular Weight (g/mol) | 133.15 |
| MDL Number | MFCD00001801 |
| SMILES | COC1=CC=CC(=C1)C#N |
| Synonym | m-cyanoanisole,benzonitrile, 3-methoxy,m-anisonitrile,m-methoxybenzonitrile,3-cyanoanisole,3-anisonitrile,benzonitrile, m-methoxy,3-methoxy-benzonitrile,3-methoxy benzonitrile,m-methoxybenzontrile |
| IUPAC Name | 3-methoxybenzonitrile |
| InChI Key | KLXSUMLEPNAZFK-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO |
1,3,6,8-Tetrabromopyrene 98.0+%, TCI America™
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CAS: 128-63-2 Molecular Formula: C16H6Br4 Molecular Weight (g/mol): 517.84 MDL Number: MFCD00428682 InChI Key: ZKBKRTZIYOKNRG-UHFFFAOYSA-N PubChem CID: 67188 IUPAC Name: 1,3,6,8-tetrabromopyrene SMILES: BrC1=CC(Br)=C2C=CC3=C(Br)C=C(Br)C4=CC=C1C2=C34
| PubChem CID | 67188 |
|---|---|
| CAS | 128-63-2 |
| Molecular Weight (g/mol) | 517.84 |
| MDL Number | MFCD00428682 |
| SMILES | BrC1=CC(Br)=C2C=CC3=C(Br)C=C(Br)C4=CC=C1C2=C34 |
| IUPAC Name | 1,3,6,8-tetrabromopyrene |
| InChI Key | ZKBKRTZIYOKNRG-UHFFFAOYSA-N |
| Molecular Formula | C16H6Br4 |
Mesityl Bromide 99.0+%, TCI America™
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CAS: 576-83-0 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.091 MDL Number: MFCD00000073 InChI Key: RRTLQRYOJOSPEA-UHFFFAOYSA-N Synonym: 2-bromomesitylene,2,4,6-trimethylbromobenzene,mesityl bromide,bromomesitylene,benzene, 2-bromo-1,3,5-trimethyl,2,4,6-trimethybromombenzene,mesitylene, 2-bromo,2,4,6-trimethylphenyl bromide,1-bromo-2,4,6-trimethylbenzene,2-bromo-1,3,5-trimethyl-benzene PubChem CID: 68473 IUPAC Name: 2-bromo-1,3,5-trimethylbenzene SMILES: CC1=CC(=C(C(=C1)C)Br)C
| PubChem CID | 68473 |
|---|---|
| CAS | 576-83-0 |
| Molecular Weight (g/mol) | 199.091 |
| MDL Number | MFCD00000073 |
| SMILES | CC1=CC(=C(C(=C1)C)Br)C |
| Synonym | 2-bromomesitylene,2,4,6-trimethylbromobenzene,mesityl bromide,bromomesitylene,benzene, 2-bromo-1,3,5-trimethyl,2,4,6-trimethybromombenzene,mesitylene, 2-bromo,2,4,6-trimethylphenyl bromide,1-bromo-2,4,6-trimethylbenzene,2-bromo-1,3,5-trimethyl-benzene |
| IUPAC Name | 2-bromo-1,3,5-trimethylbenzene |
| InChI Key | RRTLQRYOJOSPEA-UHFFFAOYSA-N |
| Molecular Formula | C9H11Br |
2,6-Dinitro-p-cresol (wetted with ca. 20% Water) (unit weight on dry weight basis) 98.0+%, TCI America™
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CAS: 609-93-8 Molecular Formula: C7H6N2O5 Molecular Weight (g/mol): 198.13 MDL Number: MFCD00007121 InChI Key: HOYRZHJJAHRMLL-UHFFFAOYSA-N Synonym: 2,6-dinitro-p-cresol,4-methyl-2,6-dinitrophenol,victoria orange,victoria yellow,dinitro-p-cresol,2,6-dinitro-4-methylphenol,dnpc,phenol, 4-methyl-2,6-dinitro,p-cresol, 2,6-dinitro,unii-l572bvh6nf PubChem CID: 11872 IUPAC Name: 4-methyl-2,6-dinitrophenol SMILES: CC1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O
| PubChem CID | 11872 |
|---|---|
| CAS | 609-93-8 |
| Molecular Weight (g/mol) | 198.13 |
| MDL Number | MFCD00007121 |
| SMILES | CC1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O |
| Synonym | 2,6-dinitro-p-cresol,4-methyl-2,6-dinitrophenol,victoria orange,victoria yellow,dinitro-p-cresol,2,6-dinitro-4-methylphenol,dnpc,phenol, 4-methyl-2,6-dinitro,p-cresol, 2,6-dinitro,unii-l572bvh6nf |
| IUPAC Name | 4-methyl-2,6-dinitrophenol |
| InChI Key | HOYRZHJJAHRMLL-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2O5 |
Neopentylbenzene 97.0+%, TCI America™
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CAS: 1007-26-7 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.249 MDL Number: MFCD00038279 InChI Key: CJGXJKVMUHXVHL-UHFFFAOYSA-N Synonym: neopentylbenzene,benzene, 2,2-dimethylpropyl,neopentyl benzene,benzene, neopentyl,2,2-dimethyl-1-propyl benzene,unii-7mhd03e509,2,2-dimethylpropyl benzene,1-neopentylbenzene,acmc-1bs8x PubChem CID: 13877 IUPAC Name: 2,2-dimethylpropylbenzene SMILES: CC(C)(C)CC1=CC=CC=C1
| PubChem CID | 13877 |
|---|---|
| CAS | 1007-26-7 |
| Molecular Weight (g/mol) | 148.249 |
| MDL Number | MFCD00038279 |
| SMILES | CC(C)(C)CC1=CC=CC=C1 |
| Synonym | neopentylbenzene,benzene, 2,2-dimethylpropyl,neopentyl benzene,benzene, neopentyl,2,2-dimethyl-1-propyl benzene,unii-7mhd03e509,2,2-dimethylpropyl benzene,1-neopentylbenzene,acmc-1bs8x |
| IUPAC Name | 2,2-dimethylpropylbenzene |
| InChI Key | CJGXJKVMUHXVHL-UHFFFAOYSA-N |
| Molecular Formula | C11H16 |
Methoxyhydroquinone 98.0+%, TCI America™
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CAS: 824-46-4 Molecular Formula: C7H8O3 Molecular Weight (g/mol): 140.138 MDL Number: MFCD00013971 InChI Key: LAQYHRQFABOIFD-UHFFFAOYSA-N Synonym: 2-methoxyhydroquinone,methoxyhydroquinone,1,4-benzenediol, 2-methoxy,1,4-dihydroxy-2-methoxybenzene,unii-2hi6hnr5u1,2hi6hnr5u1,o-methoxyhydroquinone,2,5-dihydroxyanisole,2-mohydrop,acmc-209pp0 PubChem CID: 69988 IUPAC Name: 2-methoxybenzene-1,4-diol SMILES: COC1=C(C=CC(=C1)O)O
| PubChem CID | 69988 |
|---|---|
| CAS | 824-46-4 |
| Molecular Weight (g/mol) | 140.138 |
| MDL Number | MFCD00013971 |
| SMILES | COC1=C(C=CC(=C1)O)O |
| Synonym | 2-methoxyhydroquinone,methoxyhydroquinone,1,4-benzenediol, 2-methoxy,1,4-dihydroxy-2-methoxybenzene,unii-2hi6hnr5u1,2hi6hnr5u1,o-methoxyhydroquinone,2,5-dihydroxyanisole,2-mohydrop,acmc-209pp0 |
| IUPAC Name | 2-methoxybenzene-1,4-diol |
| InChI Key | LAQYHRQFABOIFD-UHFFFAOYSA-N |
| Molecular Formula | C7H8O3 |
2-Formylbenzonitrile 99.0+%, TCI America™
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CAS: 7468-67-9 Molecular Formula: C8H5NO Molecular Weight (g/mol): 131.13 MDL Number: MFCD00017503 InChI Key: QVTPWONEVZJCCS-UHFFFAOYSA-N Synonym: 2-cyanobenzaldehyde,o-cyanobenzaldehyde,benzonitrile, 2-formyl,cyanobenzaldehyde,2-formylbenzenecarbonitrile,2-cyano-benzaldehyde,2-formyl-benzonitrile,pubchem7409,#,acmc-1blgc PubChem CID: 101209 IUPAC Name: 2-formylbenzonitrile SMILES: O=CC1=CC=CC=C1C#N
| PubChem CID | 101209 |
|---|---|
| CAS | 7468-67-9 |
| Molecular Weight (g/mol) | 131.13 |
| MDL Number | MFCD00017503 |
| SMILES | O=CC1=CC=CC=C1C#N |
| Synonym | 2-cyanobenzaldehyde,o-cyanobenzaldehyde,benzonitrile, 2-formyl,cyanobenzaldehyde,2-formylbenzenecarbonitrile,2-cyano-benzaldehyde,2-formyl-benzonitrile,pubchem7409,#,acmc-1blgc |
| IUPAC Name | 2-formylbenzonitrile |
| InChI Key | QVTPWONEVZJCCS-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO |