Benzenoids
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4-Formylbenzonitrile 98.0+%, TCI America™
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CAS: 105-07-7 Molecular Formula: C8H5NO Molecular Weight (g/mol): 131.13 MDL Number: MFCD00003376 InChI Key: WZWIQYMTQZCSKI-UHFFFAOYSA-N Synonym: 4-cyanobenzaldehyde,benzonitrile, 4-formyl,p-cyanobenzaldehyde,p-formylbenzonitrile,benzaldehyde, p-cyano,benzonitrile, p-formyl,usaf kf-1,terephthalaldehydonitrile,p-cyanobenzenecarboxaldehyde,4-formyl-benzonitrile PubChem CID: 66042 IUPAC Name: 4-formylbenzonitrile SMILES: O=CC1=CC=C(C=C1)C#N
| PubChem CID | 66042 |
|---|---|
| CAS | 105-07-7 |
| Molecular Weight (g/mol) | 131.13 |
| MDL Number | MFCD00003376 |
| SMILES | O=CC1=CC=C(C=C1)C#N |
| Synonym | 4-cyanobenzaldehyde,benzonitrile, 4-formyl,p-cyanobenzaldehyde,p-formylbenzonitrile,benzaldehyde, p-cyano,benzonitrile, p-formyl,usaf kf-1,terephthalaldehydonitrile,p-cyanobenzenecarboxaldehyde,4-formyl-benzonitrile |
| IUPAC Name | 4-formylbenzonitrile |
| InChI Key | WZWIQYMTQZCSKI-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO |
Atipamezole Hydrochloride 98.0+%, TCI America™
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CAS: 104075-48-1 Molecular Formula: C14H17ClN2 Molecular Weight (g/mol): 248.75 MDL Number: MFCD06407819 InChI Key: PCCVCJAQMHDWJY-UHFFFAOYSA-N Synonym: atipamezole hydrochloride,atipamezole hcl,1h-imidazole, 4-2-ethyl-2,3-dihydro-1h-inden-2-yl-, monohydrochloride,4-2-ethyl-2,3-dihydro-1h-inden-2-yl-1h-imidazole hydrochloride,5-2-ethyl-2,3-dihydro-1h-inden-2-yl-1h-imidazole hydrochloride,pubchem21910,mpv1248 hydrochloride,mpv 1248 hydrochloride,mpv-1248 hydrochloride PubChem CID: 13649426 IUPAC Name: 5-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-1H-imidazole hydrochloride SMILES: Cl.CCC1(CC2=CC=CC=C2C1)C1=CN=CN1
| PubChem CID | 13649426 |
|---|---|
| CAS | 104075-48-1 |
| Molecular Weight (g/mol) | 248.75 |
| MDL Number | MFCD06407819 |
| SMILES | Cl.CCC1(CC2=CC=CC=C2C1)C1=CN=CN1 |
| Synonym | atipamezole hydrochloride,atipamezole hcl,1h-imidazole, 4-2-ethyl-2,3-dihydro-1h-inden-2-yl-, monohydrochloride,4-2-ethyl-2,3-dihydro-1h-inden-2-yl-1h-imidazole hydrochloride,5-2-ethyl-2,3-dihydro-1h-inden-2-yl-1h-imidazole hydrochloride,pubchem21910,mpv1248 hydrochloride,mpv 1248 hydrochloride,mpv-1248 hydrochloride |
| IUPAC Name | 5-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-1H-imidazole hydrochloride |
| InChI Key | PCCVCJAQMHDWJY-UHFFFAOYSA-N |
| Molecular Formula | C14H17ClN2 |
Methyl 2-Chloro-4-nitrobenzoate 99.0+%, TCI America™
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CAS: 13324-11-3 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.59 MDL Number: MFCD00017013 InChI Key: PICNSXCJRMYANX-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrobenzoic acid methyl ester,methyl2-chloro-4-nitrobenzoate,4-nitro-2-chlorobenzoic acid methyl ester,2-chloro-4-nitro-benzoic acid methyl ester,benzoic acid, 2-chloro-4-nitro-, methyl ester,maybridge1_005088,acmc-1c12v,methyl-2-chloro-4-nitrobenzoate,methyl-4-nitro-2-chlorobenzoate,2-chloro-4-nitrobenzoic acid methylester PubChem CID: 83343 IUPAC Name: methyl 2-chloro-4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O
| PubChem CID | 83343 |
|---|---|
| CAS | 13324-11-3 |
| Molecular Weight (g/mol) | 215.59 |
| MDL Number | MFCD00017013 |
| SMILES | COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O |
| Synonym | 2-chloro-4-nitrobenzoic acid methyl ester,methyl2-chloro-4-nitrobenzoate,4-nitro-2-chlorobenzoic acid methyl ester,2-chloro-4-nitro-benzoic acid methyl ester,benzoic acid, 2-chloro-4-nitro-, methyl ester,maybridge1_005088,acmc-1c12v,methyl-2-chloro-4-nitrobenzoate,methyl-4-nitro-2-chlorobenzoate,2-chloro-4-nitrobenzoic acid methylester |
| IUPAC Name | methyl 2-chloro-4-nitrobenzoate |
| InChI Key | PICNSXCJRMYANX-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO4 |
2,3,6-Trimethoxybenzoic Acid 98.0+%, TCI America™
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CAS: 60241-74-9 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.201 MDL Number: MFCD00092587 InChI Key: NSKSXYUOXAQHCH-UHFFFAOYSA-N PubChem CID: 611400 IUPAC Name: 2,3,6-trimethoxybenzoic acid SMILES: COC1=C(C(=C(C=C1)OC)OC)C(=O)O
| PubChem CID | 611400 |
|---|---|
| CAS | 60241-74-9 |
| Molecular Weight (g/mol) | 212.201 |
| MDL Number | MFCD00092587 |
| SMILES | COC1=C(C(=C(C=C1)OC)OC)C(=O)O |
| IUPAC Name | 2,3,6-trimethoxybenzoic acid |
| InChI Key | NSKSXYUOXAQHCH-UHFFFAOYSA-N |
| Molecular Formula | C10H12O5 |
BAY 11-7082 98.0+%, TCI America™
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CAS: 19542-67-7 Molecular Formula: C10H9NO2S Molecular Weight (g/mol): 207.25 MDL Number: MFCD00712162 InChI Key: DOEWDSDBFRHVAP-KRXBUXKQSA-N Synonym: e-3-tosylacrylonitrile,e-3-p-toluenesulfonyl acrylonitrile,unii-4y5g2a4f6o,e-3-4-methylphenyl sulfonylprop-2-enenitrile,3-p-toluenesulfonyl acrylonitrile, e,3-4-methylphenylsulfonyl-2-propenenitrile,e-3-4-methylphenylsulfonyl-2-propenenitrile,e 3-4-methylphenyl sulfonyl-2-propenenitrile,2e-3-4-methylphenyl sulfonyl prop-2-enenitrile,2-propenenitrile, 3-4-methylphenyl sulfonyl-, 2e PubChem CID: 5353431 ChEBI: CHEBI:85928 IUPAC Name: (2E)-3-(4-methylbenzenesulfonyl)prop-2-enenitrile SMILES: CC1=CC=C(C=C1)S(=O)(=O)\C=C\C#N
| PubChem CID | 5353431 |
|---|---|
| CAS | 19542-67-7 |
| Molecular Weight (g/mol) | 207.25 |
| ChEBI | CHEBI:85928 |
| MDL Number | MFCD00712162 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)\C=C\C#N |
| Synonym | e-3-tosylacrylonitrile,e-3-p-toluenesulfonyl acrylonitrile,unii-4y5g2a4f6o,e-3-4-methylphenyl sulfonylprop-2-enenitrile,3-p-toluenesulfonyl acrylonitrile, e,3-4-methylphenylsulfonyl-2-propenenitrile,e-3-4-methylphenylsulfonyl-2-propenenitrile,e 3-4-methylphenyl sulfonyl-2-propenenitrile,2e-3-4-methylphenyl sulfonyl prop-2-enenitrile,2-propenenitrile, 3-4-methylphenyl sulfonyl-, 2e |
| IUPAC Name | (2E)-3-(4-methylbenzenesulfonyl)prop-2-enenitrile |
| InChI Key | DOEWDSDBFRHVAP-KRXBUXKQSA-N |
| Molecular Formula | C10H9NO2S |
Tris(4-fluorophenyl)phosphine 98.0+%, TCI America™
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CAS: 18437-78-0 Molecular Formula: C18H12F3P Molecular Weight (g/mol): 316.26 MDL Number: MFCD00013553 InChI Key: GEPJPYNDFSOARB-UHFFFAOYSA-N Synonym: tris 4-fluorophenyl phosphine,phosphine, tris 4-fluorophenyl,tris p-fluorophenyl phosphine,tri 4-fluorophenyl phosphine,tris 4-fluorophenyl phosphane,phosphine, tris p-fluorophenyl,zlchem 700,pubchem6418,acmc-1c3oi PubChem CID: 140387 IUPAC Name: tris(4-fluorophenyl)phosphane SMILES: FC1=CC=C(C=C1)P(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1
| PubChem CID | 140387 |
|---|---|
| CAS | 18437-78-0 |
| Molecular Weight (g/mol) | 316.26 |
| MDL Number | MFCD00013553 |
| SMILES | FC1=CC=C(C=C1)P(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1 |
| Synonym | tris 4-fluorophenyl phosphine,phosphine, tris 4-fluorophenyl,tris p-fluorophenyl phosphine,tri 4-fluorophenyl phosphine,tris 4-fluorophenyl phosphane,phosphine, tris p-fluorophenyl,zlchem 700,pubchem6418,acmc-1c3oi |
| IUPAC Name | tris(4-fluorophenyl)phosphane |
| InChI Key | GEPJPYNDFSOARB-UHFFFAOYSA-N |
| Molecular Formula | C18H12F3P |
Bambuterol Hydrochloride 96.0+%, TCI America™
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CAS: 81732-46-9 Molecular Formula: C18H30ClN3O5 Molecular Weight (g/mol): 403.90 MDL Number: MFCD03427293 InChI Key: LBARATORRVNNQM-UHFFFAOYNA-N Synonym: bambuterol hydrochloride,bambuterol hcl,bambec tn,dimethylcarbmic acid 5-2-1,1-dimethylethyl amino-1-hydroxyethyl-1,3-phenylene ester,dsstox_cid_25515,dsstox_rid_80925,dsstox_gsid_45515,prestwick_777,bambuterolhydrochloride PubChem CID: 54765 ChEBI: CHEBI:59167 IUPAC Name: hydrogen 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-[(dimethylcarbamoyl)oxy]phenyl N,N-dimethylcarbamate chloride SMILES: [H+].[Cl-].CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C
| PubChem CID | 54765 |
|---|---|
| CAS | 81732-46-9 |
| Molecular Weight (g/mol) | 403.90 |
| ChEBI | CHEBI:59167 |
| MDL Number | MFCD03427293 |
| SMILES | [H+].[Cl-].CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C |
| Synonym | bambuterol hydrochloride,bambuterol hcl,bambec tn,dimethylcarbmic acid 5-2-1,1-dimethylethyl amino-1-hydroxyethyl-1,3-phenylene ester,dsstox_cid_25515,dsstox_rid_80925,dsstox_gsid_45515,prestwick_777,bambuterolhydrochloride |
| IUPAC Name | hydrogen 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-[(dimethylcarbamoyl)oxy]phenyl N,N-dimethylcarbamate chloride |
| InChI Key | LBARATORRVNNQM-UHFFFAOYNA-N |
| Molecular Formula | C18H30ClN3O5 |
2-Amino-3-bromo-5-nitrobenzonitrile 98.0+%, TCI America™
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CAS: 17601-94-4 Molecular Formula: C7H4BrN3O2 Molecular Weight (g/mol): 242.032 MDL Number: MFCD00054185 InChI Key: MUHLVSZIVTURCZ-UHFFFAOYSA-N Synonym: benzonitrile, 2-amino-3-bromo-5-nitro,6-bromo-2-cyano-4-nitroaniline,2-bromo-6-cyano-4-nitroaniline,2-cyano-4-nitro-6-bromoaniline,2-amino-3-bromo-5-nitrobenzenecarbonitrile,pubchem2331,2-amino-3-bromo-1-cyano-5-nitrobenzene,acmc-1bus8,cambridge id 5228140,ksc496g6h PubChem CID: 87173 IUPAC Name: 2-amino-3-bromo-5-nitrobenzonitrile SMILES: C1=C(C=C(C(=C1Br)N)C#N)[N+](=O)[O-]
| PubChem CID | 87173 |
|---|---|
| CAS | 17601-94-4 |
| Molecular Weight (g/mol) | 242.032 |
| MDL Number | MFCD00054185 |
| SMILES | C1=C(C=C(C(=C1Br)N)C#N)[N+](=O)[O-] |
| Synonym | benzonitrile, 2-amino-3-bromo-5-nitro,6-bromo-2-cyano-4-nitroaniline,2-bromo-6-cyano-4-nitroaniline,2-cyano-4-nitro-6-bromoaniline,2-amino-3-bromo-5-nitrobenzenecarbonitrile,pubchem2331,2-amino-3-bromo-1-cyano-5-nitrobenzene,acmc-1bus8,cambridge id 5228140,ksc496g6h |
| IUPAC Name | 2-amino-3-bromo-5-nitrobenzonitrile |
| InChI Key | MUHLVSZIVTURCZ-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrN3O2 |
2,5-Dihydroxyphenyl(diphenyl)phosphine Oxide 97.0+%, TCI America™
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CAS: 13291-46-8 Molecular Formula: C18H15O3P Molecular Weight (g/mol): 310.289 InChI Key: LLOXZCFOAUCDAE-UHFFFAOYSA-N PubChem CID: 2783495 IUPAC Name: 2-diphenylphosphorylbenzene-1,4-diol SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=C(C=CC(=C3)O)O
| PubChem CID | 2783495 |
|---|---|
| CAS | 13291-46-8 |
| Molecular Weight (g/mol) | 310.289 |
| SMILES | C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=C(C=CC(=C3)O)O |
| IUPAC Name | 2-diphenylphosphorylbenzene-1,4-diol |
| InChI Key | LLOXZCFOAUCDAE-UHFFFAOYSA-N |
| Molecular Formula | C18H15O3P |
4-(Bromomethyl)benzoic Acid 97.0+%, TCI America™
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CAS: 6232-88-8 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00002567 InChI Key: CQQSQBRPAJSTFB-UHFFFAOYSA-N Synonym: 4-bromomethyl benzoic acid,alpha-bromo-p-toluic acid,benzoic acid, 4-bromomethyl,p-bromomethyl benzoic acid,4-carboxybenzyl bromide,4-bromomethyl-benzoic acid,a-bromo-p-toluic acid,p-carboxybenzyl bromide,p-bromomethylbenzoic acid PubChem CID: 22599 IUPAC Name: 4-(bromomethyl)benzoic acid SMILES: C1=CC(=CC=C1CBr)C(=O)O
| PubChem CID | 22599 |
|---|---|
| CAS | 6232-88-8 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD00002567 |
| SMILES | C1=CC(=CC=C1CBr)C(=O)O |
| Synonym | 4-bromomethyl benzoic acid,alpha-bromo-p-toluic acid,benzoic acid, 4-bromomethyl,p-bromomethyl benzoic acid,4-carboxybenzyl bromide,4-bromomethyl-benzoic acid,a-bromo-p-toluic acid,p-carboxybenzyl bromide,p-bromomethylbenzoic acid |
| IUPAC Name | 4-(bromomethyl)benzoic acid |
| InChI Key | CQQSQBRPAJSTFB-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
1,2,3,4-Tetrahydronaphthalene 97.0+%, TCI America™
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CAS: 119-64-2 Molecular Formula: C10H12 Molecular Weight (g/mol): 132.21 MDL Number: MFCD00001733 InChI Key: CXWXQJXEFPUFDZ-UHFFFAOYSA-N Synonym: tetralin,benzocyclohexane,tetrahydronaphthalene,bacticin,tetraline,tetranap,naphthalene, 1,2,3,4-tetrahydro,tetralina,naphthalene 1,2,3,4-tetrahydride,tetralene PubChem CID: 8404 ChEBI: CHEBI:35008 IUPAC Name: 1,2,3,4-tetrahydronaphthalene SMILES: C1CCC2=CC=CC=C2C1
| PubChem CID | 8404 |
|---|---|
| CAS | 119-64-2 |
| Molecular Weight (g/mol) | 132.21 |
| ChEBI | CHEBI:35008 |
| MDL Number | MFCD00001733 |
| SMILES | C1CCC2=CC=CC=C2C1 |
| Synonym | tetralin,benzocyclohexane,tetrahydronaphthalene,bacticin,tetraline,tetranap,naphthalene, 1,2,3,4-tetrahydro,tetralina,naphthalene 1,2,3,4-tetrahydride,tetralene |
| IUPAC Name | 1,2,3,4-tetrahydronaphthalene |
| InChI Key | CXWXQJXEFPUFDZ-UHFFFAOYSA-N |
| Molecular Formula | C10H12 |
(3,4-Dimethoxybenzyl)triphenylphosphonium Bromide 98.0+%, TCI America™
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CAS: 70219-09-9 Molecular Formula: C27H26BrO2P Molecular Weight (g/mol): 493.381 InChI Key: BLALYSCMLUQKSG-UHFFFAOYSA-M PubChem CID: 11049284 IUPAC Name: (3,4-dimethoxyphenyl)methyl-triphenylphosphanium;bromide SMILES: COC1=C(C=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC.[Br-]
| PubChem CID | 11049284 |
|---|---|
| CAS | 70219-09-9 |
| Molecular Weight (g/mol) | 493.381 |
| SMILES | COC1=C(C=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC.[Br-] |
| IUPAC Name | (3,4-dimethoxyphenyl)methyl-triphenylphosphanium;bromide |
| InChI Key | BLALYSCMLUQKSG-UHFFFAOYSA-M |
| Molecular Formula | C27H26BrO2P |
2-Methylbenzyl Alcohol 97.0+%, TCI America™
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CAS: 89-95-2 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00004622 InChI Key: XPNGNIFUDRPBFJ-UHFFFAOYSA-N Synonym: 2-methylbenzyl alcohol,o-tolylmethanol,o-tolyl alcohol,2-methylphenyl methanol,o-methylbenzyl alcohol,benzenemethanol, 2-methyl,toluene-methanol,benzyl alcohol, o-methyl,unii-7l3m6y04nc,alpha-hydroxy-o-xylene PubChem CID: 6994 ChEBI: CHEBI:27724 IUPAC Name: (2-methylphenyl)methanol SMILES: CC1=CC=CC=C1CO
| PubChem CID | 6994 |
|---|---|
| CAS | 89-95-2 |
| Molecular Weight (g/mol) | 122.167 |
| ChEBI | CHEBI:27724 |
| MDL Number | MFCD00004622 |
| SMILES | CC1=CC=CC=C1CO |
| Synonym | 2-methylbenzyl alcohol,o-tolylmethanol,o-tolyl alcohol,2-methylphenyl methanol,o-methylbenzyl alcohol,benzenemethanol, 2-methyl,toluene-methanol,benzyl alcohol, o-methyl,unii-7l3m6y04nc,alpha-hydroxy-o-xylene |
| IUPAC Name | (2-methylphenyl)methanol |
| InChI Key | XPNGNIFUDRPBFJ-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
4-Benzyloxyphenylacetic Acid 98.0+%, TCI America™
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CAS: 6547-53-1 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.274 MDL Number: MFCD00017540 InChI Key: XJHGAJLIKDAOPE-UHFFFAOYSA-N Synonym: 4-benzyloxyphenylacetic acid,2-4-benzyloxy phenyl acetic acid,4-benzyloxy phenyl acetic acid,4-benzyloxyphenyl acetic acid,benzeneacetic acid, 4-phenylmethoxy,4-benzyloxy phenylacetic acid,4-benzyloxy-phenyl-acetic acid,2-4-phenylmethoxyphenyl acetic acid,2-4-phenylmethoxy phenyl acetic acid PubChem CID: 81033 IUPAC Name: 2-(4-phenylmethoxyphenyl)acetic acid SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(=O)O
| PubChem CID | 81033 |
|---|---|
| CAS | 6547-53-1 |
| Molecular Weight (g/mol) | 242.274 |
| MDL Number | MFCD00017540 |
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(=O)O |
| Synonym | 4-benzyloxyphenylacetic acid,2-4-benzyloxy phenyl acetic acid,4-benzyloxy phenyl acetic acid,4-benzyloxyphenyl acetic acid,benzeneacetic acid, 4-phenylmethoxy,4-benzyloxy phenylacetic acid,4-benzyloxy-phenyl-acetic acid,2-4-phenylmethoxyphenyl acetic acid,2-4-phenylmethoxy phenyl acetic acid |
| IUPAC Name | 2-(4-phenylmethoxyphenyl)acetic acid |
| InChI Key | XJHGAJLIKDAOPE-UHFFFAOYSA-N |
| Molecular Formula | C15H14O3 |
4-(2',6'-Dimethylphenoxy)phthalonitrile 99.0+%, TCI America™
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CAS: 221302-75-6 Molecular Formula: C16H12N2O Molecular Weight (g/mol): 248.285 MDL Number: MFCD00059064 InChI Key: LJUVUOSWARAIBZ-UHFFFAOYSA-N PubChem CID: 952073 IUPAC Name: 4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile SMILES: CC1=C(C(=CC=C1)C)OC2=CC(=C(C=C2)C#N)C#N
| PubChem CID | 952073 |
|---|---|
| CAS | 221302-75-6 |
| Molecular Weight (g/mol) | 248.285 |
| MDL Number | MFCD00059064 |
| SMILES | CC1=C(C(=CC=C1)C)OC2=CC(=C(C=C2)C#N)C#N |
| IUPAC Name | 4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile |
| InChI Key | LJUVUOSWARAIBZ-UHFFFAOYSA-N |
| Molecular Formula | C16H12N2O |