Benzenoids
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Methyl 2-Bromo-5-chlorobenzoate 98.0+%, TCI America™
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CAS: 27007-53-0 Molecular Formula: C8H6BrClO2 Molecular Weight (g/mol): 249.488 MDL Number: MFCD00144763 InChI Key: BIECSXCXIXHDBC-UHFFFAOYSA-N Synonym: 2-bromo-5-chlorobenzoic acid methyl ester,benzoic acid, 2-bromo-5-chloro-, methyl ester,pubchem11238,acmc-1cr8r,ksc494q3f,methyl-2-bromo-5-chlorobenzoate,methyl 2-bromo-5-chloro-benzoate,methyl 2-bromanyl-5-chloranyl-benzoate,2-bomo-5-chlorobenzoic acid methyl ester PubChem CID: 280500 IUPAC Name: methyl 2-bromo-5-chlorobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)Cl)Br
| PubChem CID | 280500 |
|---|---|
| CAS | 27007-53-0 |
| Molecular Weight (g/mol) | 249.488 |
| MDL Number | MFCD00144763 |
| SMILES | COC(=O)C1=C(C=CC(=C1)Cl)Br |
| Synonym | 2-bromo-5-chlorobenzoic acid methyl ester,benzoic acid, 2-bromo-5-chloro-, methyl ester,pubchem11238,acmc-1cr8r,ksc494q3f,methyl-2-bromo-5-chlorobenzoate,methyl 2-bromo-5-chloro-benzoate,methyl 2-bromanyl-5-chloranyl-benzoate,2-bomo-5-chlorobenzoic acid methyl ester |
| IUPAC Name | methyl 2-bromo-5-chlorobenzoate |
| InChI Key | BIECSXCXIXHDBC-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrClO2 |
4-Amino-3-bromobenzoic Acid 98.0+%, TCI America™
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CAS: 6311-37-1 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 MDL Number: MFCD03407439 InChI Key: BFIVZIVVJNFTIQ-UHFFFAOYSA-N PubChem CID: 238935 IUPAC Name: 4-amino-3-bromobenzoic acid SMILES: NC1=CC=C(C=C1Br)C(O)=O
| PubChem CID | 238935 |
|---|---|
| CAS | 6311-37-1 |
| Molecular Weight (g/mol) | 216.03 |
| MDL Number | MFCD03407439 |
| SMILES | NC1=CC=C(C=C1Br)C(O)=O |
| IUPAC Name | 4-amino-3-bromobenzoic acid |
| InChI Key | BFIVZIVVJNFTIQ-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO2 |
(S,S)-N-(2-Amino-1,2-diphenylethyl)-p-toluenesulfonamide 98.0+%, TCI America™
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CAS: 167316-27-0 Molecular Formula: C21H23N2O2S Molecular Weight (g/mol): 367.49 MDL Number: MFCD03095684 InChI Key: UOPFIWYXBIHPIP-SFTDATJTSA-O Synonym: 1s,2s-+-n-p-tosyl-1,2-diphenylethylenediamine,s,s-tsdpen,1s,2s-+-n-4-toluenesulfonyl-1,2-diphenylethylenediamine,1s,2s-n-4-toluenesulfonyl-1,2-diphenylethylene-1,2-diamine,1s,2s---n-p-tosyl-1,2-diphenylethylenediamine,n-1s,2s-2-amino-1,2-diphenylethyl-4-methylbenzenesulfonamide,1s, 2s-+-n-4-toluene sulfonyl 1,2-diphenyl-1,2-ethane diamine,s,s-n-p-toluenesulfonyl-1,2-diphenylethylenediamine,1s,2s-tsdpen,s,s-n-2-amino-1,2-diphenylethyl-p-toluenesulfonamide PubChem CID: 6612782 IUPAC Name: N-[(1S,2S)-2-azaniumyl-1,2-diphenylethyl]-4-methylbenzene-1-sulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H]([C@@H]([NH3+])C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 6612782 |
|---|---|
| CAS | 167316-27-0 |
| Molecular Weight (g/mol) | 367.49 |
| MDL Number | MFCD03095684 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N[C@H]([C@@H]([NH3+])C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1s,2s-+-n-p-tosyl-1,2-diphenylethylenediamine,s,s-tsdpen,1s,2s-+-n-4-toluenesulfonyl-1,2-diphenylethylenediamine,1s,2s-n-4-toluenesulfonyl-1,2-diphenylethylene-1,2-diamine,1s,2s---n-p-tosyl-1,2-diphenylethylenediamine,n-1s,2s-2-amino-1,2-diphenylethyl-4-methylbenzenesulfonamide,1s, 2s-+-n-4-toluene sulfonyl 1,2-diphenyl-1,2-ethane diamine,s,s-n-p-toluenesulfonyl-1,2-diphenylethylenediamine,1s,2s-tsdpen,s,s-n-2-amino-1,2-diphenylethyl-p-toluenesulfonamide |
| IUPAC Name | N-[(1S,2S)-2-azaniumyl-1,2-diphenylethyl]-4-methylbenzene-1-sulfonamide |
| InChI Key | UOPFIWYXBIHPIP-SFTDATJTSA-O |
| Molecular Formula | C21H23N2O2S |
2-Amino-5-methylbenzonitrile 97.0+%, TCI America™
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CAS: 5925-93-9 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.166 MDL Number: MFCD00267506 InChI Key: OZLMBXPYRDASTP-UHFFFAOYSA-N Synonym: 2-amino-5-methyl-benzonitrile,benzonitrile, 2-amino-5-methyl,2-amino-5-methylbenzonitril,6-amino-m-tolunitrile,pubchem17447,2-cyano-4-methylaniline,acmc-209ww6,2-amino-5-methyl benzonitrile,benzonitrile,2-amino-5-methyl,2-amino-5-methylbenzonitrile PubChem CID: 242778 IUPAC Name: 2-amino-5-methylbenzonitrile SMILES: CC1=CC(=C(C=C1)N)C#N
| PubChem CID | 242778 |
|---|---|
| CAS | 5925-93-9 |
| Molecular Weight (g/mol) | 132.166 |
| MDL Number | MFCD00267506 |
| SMILES | CC1=CC(=C(C=C1)N)C#N |
| Synonym | 2-amino-5-methyl-benzonitrile,benzonitrile, 2-amino-5-methyl,2-amino-5-methylbenzonitril,6-amino-m-tolunitrile,pubchem17447,2-cyano-4-methylaniline,acmc-209ww6,2-amino-5-methyl benzonitrile,benzonitrile,2-amino-5-methyl,2-amino-5-methylbenzonitrile |
| IUPAC Name | 2-amino-5-methylbenzonitrile |
| InChI Key | OZLMBXPYRDASTP-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2 |
2,4-Dihydroxybenzohydrazide 98.0+%, TCI America™
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CAS: 13221-86-8 Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00017053 InChI Key: GOPUHTXVZGIOHN-UHFFFAOYSA-N Synonym: 2,4-dihydroxybenzhydrazide,2,4-dihydroxybenzoic acid hydrazide,benzoic acid, 2,4-dihydroxy-, hydrazide,2,4-dihydroxybenzoic hydrazide,2,4-bis oxidanyl benzohydrazide,2,4-dihydroxybenzoic acid, hydrazide,acmc-1cf1y,4-???benzene-1,3-diol,2,4-dihydroxybenzoylhydrazine,2,4-dihydroxy benzoic acid hydrazide PubChem CID: 166785 IUPAC Name: 2,4-dihydroxybenzohydrazide SMILES: NNC(=O)C1=CC=C(O)C=C1O
| PubChem CID | 166785 |
|---|---|
| CAS | 13221-86-8 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00017053 |
| SMILES | NNC(=O)C1=CC=C(O)C=C1O |
| Synonym | 2,4-dihydroxybenzhydrazide,2,4-dihydroxybenzoic acid hydrazide,benzoic acid, 2,4-dihydroxy-, hydrazide,2,4-dihydroxybenzoic hydrazide,2,4-bis oxidanyl benzohydrazide,2,4-dihydroxybenzoic acid, hydrazide,acmc-1cf1y,4-???benzene-1,3-diol,2,4-dihydroxybenzoylhydrazine,2,4-dihydroxy benzoic acid hydrazide |
| IUPAC Name | 2,4-dihydroxybenzohydrazide |
| InChI Key | GOPUHTXVZGIOHN-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O3 |
(2,4-Difluorophenyl)-4-piperidylmethanone Oxime Hydrochloride 98.0+%, TCI America™
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CAS: 135634-18-3 Molecular Formula: C12H15ClF2N2O Molecular Weight (g/mol): 276.712 MDL Number: MFCD11869788 InChI Key: CPVWKXXFKMUDPA-UHFFFAOYSA-N PubChem CID: 57357481 IUPAC Name: N-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride SMILES: C1CNCCC1C(=NO)C2=C(C=C(C=C2)F)F.Cl
| PubChem CID | 57357481 |
|---|---|
| CAS | 135634-18-3 |
| Molecular Weight (g/mol) | 276.712 |
| MDL Number | MFCD11869788 |
| SMILES | C1CNCCC1C(=NO)C2=C(C=C(C=C2)F)F.Cl |
| IUPAC Name | N-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine;hydrochloride |
| InChI Key | CPVWKXXFKMUDPA-UHFFFAOYSA-N |
| Molecular Formula | C12H15ClF2N2O |
9-(4-Bromophenyl)-9-phenylfluorene 98.0+%, TCI America™
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CAS: 937082-81-0 Molecular Formula: C25H17Br Molecular Weight (g/mol): 397.315 MDL Number: MFCD28975087 InChI Key: OOKRYIPMHLUQHU-UHFFFAOYSA-N PubChem CID: 57746345 IUPAC Name: 9-(4-bromophenyl)-9-phenylfluorene SMILES: C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)Br
| PubChem CID | 57746345 |
|---|---|
| CAS | 937082-81-0 |
| Molecular Weight (g/mol) | 397.315 |
| MDL Number | MFCD28975087 |
| SMILES | C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)Br |
| IUPAC Name | 9-(4-bromophenyl)-9-phenylfluorene |
| InChI Key | OOKRYIPMHLUQHU-UHFFFAOYSA-N |
| Molecular Formula | C25H17Br |
1,3,5-Tris(4-iodophenyl)benzene 98.0+%, TCI America™
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CAS: 151417-38-8 Molecular Formula: C24H15I3 Molecular Weight (g/mol): 684.097 MDL Number: MFCD07369795 InChI Key: KGLWDSJGGFTHHD-UHFFFAOYSA-N PubChem CID: 10842293 IUPAC Name: 1,3,5-tris(4-iodophenyl)benzene SMILES: C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)I)C4=CC=C(C=C4)I)I
| PubChem CID | 10842293 |
|---|---|
| CAS | 151417-38-8 |
| Molecular Weight (g/mol) | 684.097 |
| MDL Number | MFCD07369795 |
| SMILES | C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)I)C4=CC=C(C=C4)I)I |
| IUPAC Name | 1,3,5-tris(4-iodophenyl)benzene |
| InChI Key | KGLWDSJGGFTHHD-UHFFFAOYSA-N |
| Molecular Formula | C24H15I3 |
4-Aminohippuric Acid 99.0+%, TCI America™
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CAS: 61-78-9 Molecular Formula: C9H10N2O3 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00007890 InChI Key: HSMNQINEKMPTIC-UHFFFAOYSA-N Synonym: 4-aminohippuric acid,aminohippuric acid,p-aminohippuric acid,paha,glycine, n-4-aminobenzoyl,n-4-aminobenzoyl glycine,para-aminohippuric acid,aminohippurate,nefrotest,n-p-aminobenzoyl glycine PubChem CID: 2148 ChEBI: CHEBI:104011 IUPAC Name: 2-[(4-aminobenzoyl)amino]acetic acid SMILES: C1=CC(=CC=C1C(=O)NCC(=O)O)N
| PubChem CID | 2148 |
|---|---|
| CAS | 61-78-9 |
| Molecular Weight (g/mol) | 194.19 |
| ChEBI | CHEBI:104011 |
| MDL Number | MFCD00007890 |
| SMILES | C1=CC(=CC=C1C(=O)NCC(=O)O)N |
| Synonym | 4-aminohippuric acid,aminohippuric acid,p-aminohippuric acid,paha,glycine, n-4-aminobenzoyl,n-4-aminobenzoyl glycine,para-aminohippuric acid,aminohippurate,nefrotest,n-p-aminobenzoyl glycine |
| IUPAC Name | 2-[(4-aminobenzoyl)amino]acetic acid |
| InChI Key | HSMNQINEKMPTIC-UHFFFAOYSA-N |
| Molecular Formula | C9H10N2O3 |
Ethyl O-Mesitylsulfonylacetohydroxamate 98.0+%, TCI America™
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CAS: 38202-27-6 Molecular Formula: C13H19NO4S Molecular Weight (g/mol): 285.358 MDL Number: MFCD00009244 InChI Key: KQCBSWBQAXTILK-WYMLVPIESA-N Synonym: ethyl o-mesitylsulfonylacetohydroxamate,ethyl n-mesitylsulfonyl oxyacetimidate,ethyl o-methylsulphonylacetohydroxamate,ethyl o-2-mesitylenesulfonyl acethydroxamate,o-mesitylsulfonylacetohydroxamic acid ethyl ester,ethyl 1z-n-mesitylsulfonyl oxy ethanimidoate,ethyl 1e-n-2,4,6-trimethylphenyl sulfonyloxyethanimidate,kqcbswbqaxtilk-owbhpgmisa-n,z-ethyl n-mesitylsulfonyloxyacetimidate,z-ethyl n-mesitylsulfonyl oxyacetimidate PubChem CID: 6282444 IUPAC Name: ethyl (1E)-N-(2,4,6-trimethylphenyl)sulfonyloxyethanimidate SMILES: CCOC(=NOS(=O)(=O)C1=C(C=C(C=C1C)C)C)C
| PubChem CID | 6282444 |
|---|---|
| CAS | 38202-27-6 |
| Molecular Weight (g/mol) | 285.358 |
| MDL Number | MFCD00009244 |
| SMILES | CCOC(=NOS(=O)(=O)C1=C(C=C(C=C1C)C)C)C |
| Synonym | ethyl o-mesitylsulfonylacetohydroxamate,ethyl n-mesitylsulfonyl oxyacetimidate,ethyl o-methylsulphonylacetohydroxamate,ethyl o-2-mesitylenesulfonyl acethydroxamate,o-mesitylsulfonylacetohydroxamic acid ethyl ester,ethyl 1z-n-mesitylsulfonyl oxy ethanimidoate,ethyl 1e-n-2,4,6-trimethylphenyl sulfonyloxyethanimidate,kqcbswbqaxtilk-owbhpgmisa-n,z-ethyl n-mesitylsulfonyloxyacetimidate,z-ethyl n-mesitylsulfonyl oxyacetimidate |
| IUPAC Name | ethyl (1E)-N-(2,4,6-trimethylphenyl)sulfonyloxyethanimidate |
| InChI Key | KQCBSWBQAXTILK-WYMLVPIESA-N |
| Molecular Formula | C13H19NO4S |
5-Hydroxy-2-nitrobenzaldehyde 98.0+%, TCI America™
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CAS: 42454-06-8 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007332 InChI Key: XLYPHUGUKGMURE-UHFFFAOYSA-N Synonym: 3-formyl-4-nitrophenol,6-nitro-3-hydroxybenzaldehyde,2-nitro-5-hydroxybenzaldehyde,5-hydroxy-2-nitro-benzaldehyde,benzaldehyde, 5-hydroxy-2-nitro,unii-va926z93if,6-nitro-3-hydroxy benzaldhyde,pubchem8205,acmc-1an3l,4-08-00-00250 beilstein handbook reference PubChem CID: 39211 IUPAC Name: 5-hydroxy-2-nitrobenzaldehyde SMILES: OC1=CC=C(C(C=O)=C1)[N+]([O-])=O
| PubChem CID | 39211 |
|---|---|
| CAS | 42454-06-8 |
| Molecular Weight (g/mol) | 167.12 |
| MDL Number | MFCD00007332 |
| SMILES | OC1=CC=C(C(C=O)=C1)[N+]([O-])=O |
| Synonym | 3-formyl-4-nitrophenol,6-nitro-3-hydroxybenzaldehyde,2-nitro-5-hydroxybenzaldehyde,5-hydroxy-2-nitro-benzaldehyde,benzaldehyde, 5-hydroxy-2-nitro,unii-va926z93if,6-nitro-3-hydroxy benzaldhyde,pubchem8205,acmc-1an3l,4-08-00-00250 beilstein handbook reference |
| IUPAC Name | 5-hydroxy-2-nitrobenzaldehyde |
| InChI Key | XLYPHUGUKGMURE-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO4 |
2-Phenylbutyric Acid 98.0+%, TCI America™
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CAS: 90-27-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00002667 InChI Key: OFJWFSNDPCAWDK-UHFFFAOYSA-N Synonym: 2-phenylbutyric acid,alpha-ethylphenylacetic acid,butyric acid, 2-phenyl,alpha-phenylbutyric acid,benzeneacetic acid, .alpha.-ethyl,alpha-phenyl butyric acid,2-phenylbutyricacid,benzeneacetic acid, alpha-ethyl,2-phenylburyric acid,alpha-toluic acid, alpha-ethyl PubChem CID: 7012 ChEBI: CHEBI:86545 IUPAC Name: 2-phenylbutanoic acid SMILES: CCC(C1=CC=CC=C1)C(=O)O
| PubChem CID | 7012 |
|---|---|
| CAS | 90-27-7 |
| Molecular Weight (g/mol) | 164.204 |
| ChEBI | CHEBI:86545 |
| MDL Number | MFCD00002667 |
| SMILES | CCC(C1=CC=CC=C1)C(=O)O |
| Synonym | 2-phenylbutyric acid,alpha-ethylphenylacetic acid,butyric acid, 2-phenyl,alpha-phenylbutyric acid,benzeneacetic acid, .alpha.-ethyl,alpha-phenyl butyric acid,2-phenylbutyricacid,benzeneacetic acid, alpha-ethyl,2-phenylburyric acid,alpha-toluic acid, alpha-ethyl |
| IUPAC Name | 2-phenylbutanoic acid |
| InChI Key | OFJWFSNDPCAWDK-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Isoproturon 98.0+%, TCI America™
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CAS: 34123-59-6 Molecular Formula: C12H18N2O Molecular Weight (g/mol): 206.289 MDL Number: MFCD00078684 InChI Key: PUIYMUZLKQOUOZ-UHFFFAOYSA-N Synonym: isoproturon,graminon,3-4-isopropylphenyl-1,1-dimethylurea,tolkan,arelon,belgran,arelon r,nocilon,ipu stefes,ip-flo PubChem CID: 36679 ChEBI: CHEBI:6049 IUPAC Name: 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea SMILES: CC(C)C1=CC=C(C=C1)NC(=O)N(C)C
| PubChem CID | 36679 |
|---|---|
| CAS | 34123-59-6 |
| Molecular Weight (g/mol) | 206.289 |
| ChEBI | CHEBI:6049 |
| MDL Number | MFCD00078684 |
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)N(C)C |
| Synonym | isoproturon,graminon,3-4-isopropylphenyl-1,1-dimethylurea,tolkan,arelon,belgran,arelon r,nocilon,ipu stefes,ip-flo |
| IUPAC Name | 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea |
| InChI Key | PUIYMUZLKQOUOZ-UHFFFAOYSA-N |
| Molecular Formula | C12H18N2O |
2,4-Dimethoxybenzoic Acid 99.0+%, TCI America™
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CAS: 91-52-1 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00002434 InChI Key: GPVDHNVGGIAOQT-UHFFFAOYSA-N Synonym: benzoic acid, 2,4-dimethoxy,2,4-dimethoxybenzoicacid,2,4-dimethoxy benzoic acid,2,4-dimethoxybenzoic,pubchem4949,rarechem al bo 0028,2,4-dimethoxy-benzoicaci,2,4 dimethoxybenzoic acid,2.4-dimethoxybenzoic acid,dimethoxybenzoic-2,4 acid PubChem CID: 7052 IUPAC Name: 2,4-dimethoxybenzoic acid SMILES: COC1=CC(=C(C=C1)C(=O)O)OC
| PubChem CID | 7052 |
|---|---|
| CAS | 91-52-1 |
| Molecular Weight (g/mol) | 182.175 |
| MDL Number | MFCD00002434 |
| SMILES | COC1=CC(=C(C=C1)C(=O)O)OC |
| Synonym | benzoic acid, 2,4-dimethoxy,2,4-dimethoxybenzoicacid,2,4-dimethoxy benzoic acid,2,4-dimethoxybenzoic,pubchem4949,rarechem al bo 0028,2,4-dimethoxy-benzoicaci,2,4 dimethoxybenzoic acid,2.4-dimethoxybenzoic acid,dimethoxybenzoic-2,4 acid |
| IUPAC Name | 2,4-dimethoxybenzoic acid |
| InChI Key | GPVDHNVGGIAOQT-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
4'-Ethoxybenzylidene-4-butylaniline 99.0+%, TCI America™
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CAS: 29743-08-6 Molecular Formula: C19H23NO Molecular Weight (g/mol): 281.399 MDL Number: MFCD00009465 InChI Key: DBOAVDSSZWDGTH-UHFFFAOYSA-N Synonym: EBBA PubChem CID: 94406 IUPAC Name: N-(4-butylphenyl)-1-(4-ethoxyphenyl)methanimine SMILES: CCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OCC
| PubChem CID | 94406 |
|---|---|
| CAS | 29743-08-6 |
| Molecular Weight (g/mol) | 281.399 |
| MDL Number | MFCD00009465 |
| SMILES | CCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OCC |
| Synonym | EBBA |
| IUPAC Name | N-(4-butylphenyl)-1-(4-ethoxyphenyl)methanimine |
| InChI Key | DBOAVDSSZWDGTH-UHFFFAOYSA-N |
| Molecular Formula | C19H23NO |