Benzenoids
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2-Bromo-5-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 6967-82-4 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00079722 InChI Key: ZXMISUUIYPFORW-UHFFFAOYSA-N Synonym: 2-bromo-5-methyl-benzoic acid,6-bromo-m-toluic acid,2-bromo-5-methyl benzoic acid,benzoic acid, 2-bromo-5-methyl,4-bromo-3-carboxytoluene,pubchem2166,acmc-1b7tl,ksc357q9r,2-bromanyl-5-methyl-benzoic acid,2-bromo-5-methylbenzoic acid PubChem CID: 228080 IUPAC Name: 2-bromo-5-methylbenzoic acid SMILES: CC1=CC(=C(C=C1)Br)C(=O)O
| PubChem CID | 228080 |
|---|---|
| CAS | 6967-82-4 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD00079722 |
| SMILES | CC1=CC(=C(C=C1)Br)C(=O)O |
| Synonym | 2-bromo-5-methyl-benzoic acid,6-bromo-m-toluic acid,2-bromo-5-methyl benzoic acid,benzoic acid, 2-bromo-5-methyl,4-bromo-3-carboxytoluene,pubchem2166,acmc-1b7tl,ksc357q9r,2-bromanyl-5-methyl-benzoic acid,2-bromo-5-methylbenzoic acid |
| IUPAC Name | 2-bromo-5-methylbenzoic acid |
| InChI Key | ZXMISUUIYPFORW-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
4-Hydroxyphenyldimethylsulfonium Methyl Sulfate 98.0+%, TCI America™
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CAS: 32279-04-2 Molecular Formula: C9H14O5S2 Molecular Weight (g/mol): 266.326 InChI Key: PKQZVASULXKBJV-UHFFFAOYSA-N Synonym: Dimethyl-4-hydroxyphenylsulfonium Methyl Sulfate PubChem CID: 21915988 IUPAC Name: (4-hydroxyphenyl)-dimethylsulfanium;methyl sulfate SMILES: COS(=O)(=O)[O-].C[S+](C)C1=CC=C(C=C1)O
| PubChem CID | 21915988 |
|---|---|
| CAS | 32279-04-2 |
| Molecular Weight (g/mol) | 266.326 |
| SMILES | COS(=O)(=O)[O-].C[S+](C)C1=CC=C(C=C1)O |
| Synonym | Dimethyl-4-hydroxyphenylsulfonium Methyl Sulfate |
| IUPAC Name | (4-hydroxyphenyl)-dimethylsulfanium;methyl sulfate |
| InChI Key | PKQZVASULXKBJV-UHFFFAOYSA-N |
| Molecular Formula | C9H14O5S2 |
4-Hydroxybenzenethiol 97.0+%, TCI America™
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CAS: 637-89-8 Molecular Formula: C6H6OS Molecular Weight (g/mol): 126.17 MDL Number: MFCD00004850 InChI Key: BXAVKNRWVKUTLY-UHFFFAOYSA-N Synonym: 4-mercaptophenol,4-hydroxythiophenol,4-hydroxybenzenethiol,p-hydroxythiophenol,phenol, 4-mercapto,p-mercaptophenol,thiohydroquinone,monothiohydroquinone,4-hydroxy thiophenol,hydroquinone, monothio PubChem CID: 240147 IUPAC Name: 4-sulfanylphenol SMILES: OC1=CC=C(S)C=C1
| PubChem CID | 240147 |
|---|---|
| CAS | 637-89-8 |
| Molecular Weight (g/mol) | 126.17 |
| MDL Number | MFCD00004850 |
| SMILES | OC1=CC=C(S)C=C1 |
| Synonym | 4-mercaptophenol,4-hydroxythiophenol,4-hydroxybenzenethiol,p-hydroxythiophenol,phenol, 4-mercapto,p-mercaptophenol,thiohydroquinone,monothiohydroquinone,4-hydroxy thiophenol,hydroquinone, monothio |
| IUPAC Name | 4-sulfanylphenol |
| InChI Key | BXAVKNRWVKUTLY-UHFFFAOYSA-N |
| Molecular Formula | C6H6OS |
Hexyl Benzoate 98.0+%, TCI America™
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CAS: 6789-88-4 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00051714 InChI Key: UUGLJVMIFJNVFH-UHFFFAOYSA-N Synonym: benzoic acid, hexyl ester,benzoic acid n-hexyl ester,n-hexylbenzoate,n-hexyl benzoate,1-hexyl benzoate,hexylbenzoate,hexylester kyseliny benzoove,benzoic acid hexyl ester,unii-vr3c36ekjr,fema no. 3691 PubChem CID: 23235 IUPAC Name: hexyl benzoate SMILES: CCCCCCOC(=O)C1=CC=CC=C1
| PubChem CID | 23235 |
|---|---|
| CAS | 6789-88-4 |
| Molecular Weight (g/mol) | 206.285 |
| MDL Number | MFCD00051714 |
| SMILES | CCCCCCOC(=O)C1=CC=CC=C1 |
| Synonym | benzoic acid, hexyl ester,benzoic acid n-hexyl ester,n-hexylbenzoate,n-hexyl benzoate,1-hexyl benzoate,hexylbenzoate,hexylester kyseliny benzoove,benzoic acid hexyl ester,unii-vr3c36ekjr,fema no. 3691 |
| IUPAC Name | hexyl benzoate |
| InChI Key | UUGLJVMIFJNVFH-UHFFFAOYSA-N |
| Molecular Formula | C13H18O2 |
3,4,5-Trihydroxybenzaldehyde 98.0+%, TCI America™
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CAS: 13677-79-7 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00003371 InChI Key: RGZHEOWNTDJLAQ-UHFFFAOYSA-N Synonym: gallaldehyde,benzaldehyde, 3,4,5-trihydroxy,pyrogallol-5-carboxaldehyde,3,4,5-trihydroxy benzaldehyde,pubchem21300,3,4,5-trihydroxybenz,acmc-209c9s,3,4,5-trihydroxybenzaldhyde,3,4,5-trihydroxy-benzaldehyde,3,4,5-tris oxidanyl benzaldehyde PubChem CID: 83651 IUPAC Name: 3,4,5-trihydroxybenzaldehyde SMILES: OC1=CC(C=O)=CC(O)=C1O
| PubChem CID | 83651 |
|---|---|
| CAS | 13677-79-7 |
| Molecular Weight (g/mol) | 154.12 |
| MDL Number | MFCD00003371 |
| SMILES | OC1=CC(C=O)=CC(O)=C1O |
| Synonym | gallaldehyde,benzaldehyde, 3,4,5-trihydroxy,pyrogallol-5-carboxaldehyde,3,4,5-trihydroxy benzaldehyde,pubchem21300,3,4,5-trihydroxybenz,acmc-209c9s,3,4,5-trihydroxybenzaldhyde,3,4,5-trihydroxy-benzaldehyde,3,4,5-tris oxidanyl benzaldehyde |
| IUPAC Name | 3,4,5-trihydroxybenzaldehyde |
| InChI Key | RGZHEOWNTDJLAQ-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
Imidocarb Dipropionate 98.0+%, TCI America™
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CAS: 55750-06-6 Molecular Formula: C25H32N6O5 Molecular Weight (g/mol): 496.568 MDL Number: MFCD00013161 InChI Key: AFGQXWSHYUHHNV-UHFFFAOYSA-N PubChem CID: 9983292 IUPAC Name: 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;propanoic acid SMILES: CCC(=O)O.CCC(=O)O.C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4
| PubChem CID | 9983292 |
|---|---|
| CAS | 55750-06-6 |
| Molecular Weight (g/mol) | 496.568 |
| MDL Number | MFCD00013161 |
| SMILES | CCC(=O)O.CCC(=O)O.C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4 |
| IUPAC Name | 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;propanoic acid |
| InChI Key | AFGQXWSHYUHHNV-UHFFFAOYSA-N |
| Molecular Formula | C25H32N6O5 |
N-Succinimidyl 3-Maleimidobenzoate 98.0+%, TCI America™
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CAS: 58626-38-3 Molecular Formula: C15H10N2O6 Molecular Weight (g/mol): 314.253 MDL Number: MFCD00005514 InChI Key: LLXVXPPXELIDGQ-UHFFFAOYSA-N Synonym: 3-maleimidobenzoic acid n-hydroxysuccinimide ester,n-succinimidyl 3-maleimidobenzoate,3-maleimidobenzoyl n-hydroxysuccinimide,1-3-2,5-dioxopyrrolidinyl oxy carbonyl phenyl-1h-pyrrole-2,5-dione,m-maleimidobenzoyl-n-hydroxysuccinimide ester,2,5-dioxopyrrolidin-1-yl 3-2,5-dioxopyrrol-1-yl benzoate,3-n-maleimidobenzoic acid n-succinimidyl ester,2,5-dioxopyrrolidin-1-yl 3-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl benzoate,ambotzpeg2090 PubChem CID: 93861 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)benzoate SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O
| PubChem CID | 93861 |
|---|---|
| CAS | 58626-38-3 |
| Molecular Weight (g/mol) | 314.253 |
| MDL Number | MFCD00005514 |
| SMILES | C1CC(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O |
| Synonym | 3-maleimidobenzoic acid n-hydroxysuccinimide ester,n-succinimidyl 3-maleimidobenzoate,3-maleimidobenzoyl n-hydroxysuccinimide,1-3-2,5-dioxopyrrolidinyl oxy carbonyl phenyl-1h-pyrrole-2,5-dione,m-maleimidobenzoyl-n-hydroxysuccinimide ester,2,5-dioxopyrrolidin-1-yl 3-2,5-dioxopyrrol-1-yl benzoate,3-n-maleimidobenzoic acid n-succinimidyl ester,2,5-dioxopyrrolidin-1-yl 3-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl benzoate,ambotzpeg2090 |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)benzoate |
| InChI Key | LLXVXPPXELIDGQ-UHFFFAOYSA-N |
| Molecular Formula | C15H10N2O6 |
3-Fluorobenzyl Chloride 95.0+%, TCI America™
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CAS: 456-42-8 Molecular Formula: C7H6ClF Molecular Weight (g/mol): 144.573 MDL Number: MFCD00000904 InChI Key: XBDXMDVEZLOGMC-UHFFFAOYSA-N Synonym: 3-fluorobenzyl chloride,1-chloromethyl-3-fluorobenzene,m-fluorobenzyl chloride,benzene, 1-chloromethyl-3-fluoro,3-fluorobenzylchloride,alpha-chloro-3-fluorotoluene,alpha-chloro-m-fluorotoluene,fluorobenzyl-3 chloride,toluene, .alpha.-chloro-m-fluoro,.alpha.-chloro-m-fluorotoluene PubChem CID: 9974 IUPAC Name: 1-(chloromethyl)-3-fluorobenzene SMILES: C1=CC(=CC(=C1)F)CCl
| PubChem CID | 9974 |
|---|---|
| CAS | 456-42-8 |
| Molecular Weight (g/mol) | 144.573 |
| MDL Number | MFCD00000904 |
| SMILES | C1=CC(=CC(=C1)F)CCl |
| Synonym | 3-fluorobenzyl chloride,1-chloromethyl-3-fluorobenzene,m-fluorobenzyl chloride,benzene, 1-chloromethyl-3-fluoro,3-fluorobenzylchloride,alpha-chloro-3-fluorotoluene,alpha-chloro-m-fluorotoluene,fluorobenzyl-3 chloride,toluene, .alpha.-chloro-m-fluoro,.alpha.-chloro-m-fluorotoluene |
| IUPAC Name | 1-(chloromethyl)-3-fluorobenzene |
| InChI Key | XBDXMDVEZLOGMC-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClF |
3-Amino-4-hydroxybenzenesulfonic Acid Hydrate 98.0+%, TCI America™
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CAS: 98-37-3 Molecular Formula: C6H7NO4S Molecular Weight (g/mol): 189.185 MDL Number: MFCD00007696 InChI Key: ULUIMLJNTCECJU-UHFFFAOYSA-N Synonym: 2-Aminophenol-4-sulfonic Acid, 4-Hydroxymetanilic Acid PubChem CID: 7385 IUPAC Name: 3-amino-4-hydroxybenzenesulfonic acid SMILES: C1=CC(=C(C=C1S(=O)(=O)O)N)O
| PubChem CID | 7385 |
|---|---|
| CAS | 98-37-3 |
| Molecular Weight (g/mol) | 189.185 |
| MDL Number | MFCD00007696 |
| SMILES | C1=CC(=C(C=C1S(=O)(=O)O)N)O |
| Synonym | 2-Aminophenol-4-sulfonic Acid, 4-Hydroxymetanilic Acid |
| IUPAC Name | 3-amino-4-hydroxybenzenesulfonic acid |
| InChI Key | ULUIMLJNTCECJU-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO4S |
3-Fluoro-4-methoxybenzyl Chloride 98.0+%, TCI America™
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CAS: 351-52-0 Molecular Formula: C8H8ClFO Molecular Weight (g/mol): 174.60 MDL Number: MFCD04973773 InChI Key: DDAXEANMRGIVDY-UHFFFAOYSA-N Synonym: 3-fluoro-4-methoxybenzyl chloride,4-chloromethyl-2-fluoro-1-methoxybenzene,3-fluoro-4-methoxybenzylchloride,benzene,4-chloromethyl-2-fluoro-1-methoxy,benzene, 4-chloromethyl-2-fluoro-1-methoxy,4-chloromethyl-2-fluorophenyl methyl ether,4-chloromethyl-2-fluoro-1-methoxy-benzene,3-fluor-4-methoxy-benzylchlorid,4-chloromethyl-2-fluoroanisole,3-fluoro-4-methoxy benzyl chloride PubChem CID: 2060903 IUPAC Name: 4-(chloromethyl)-2-fluoro-1-methoxybenzene SMILES: COC1=CC=C(CCl)C=C1F
| PubChem CID | 2060903 |
|---|---|
| CAS | 351-52-0 |
| Molecular Weight (g/mol) | 174.60 |
| MDL Number | MFCD04973773 |
| SMILES | COC1=CC=C(CCl)C=C1F |
| Synonym | 3-fluoro-4-methoxybenzyl chloride,4-chloromethyl-2-fluoro-1-methoxybenzene,3-fluoro-4-methoxybenzylchloride,benzene,4-chloromethyl-2-fluoro-1-methoxy,benzene, 4-chloromethyl-2-fluoro-1-methoxy,4-chloromethyl-2-fluorophenyl methyl ether,4-chloromethyl-2-fluoro-1-methoxy-benzene,3-fluor-4-methoxy-benzylchlorid,4-chloromethyl-2-fluoroanisole,3-fluoro-4-methoxy benzyl chloride |
| IUPAC Name | 4-(chloromethyl)-2-fluoro-1-methoxybenzene |
| InChI Key | DDAXEANMRGIVDY-UHFFFAOYSA-N |
| Molecular Formula | C8H8ClFO |
1,2-Difluoro-4-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene 98.0+%, TCI America™
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CAS: 117943-37-0 Molecular Formula: C23H34F2 Molecular Weight (g/mol): 348.52 MDL Number: MFCD12828126 InChI Key: HTAPXFSKUGZEEP-UHFFFAOYSA-N PubChem CID: 587775 IUPAC Name: 1,2-difluoro-4-{4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl}benzene SMILES: CCCC1CCC(CCC2CCC(CC2)C2=CC(F)=C(F)C=C2)CC1
| PubChem CID | 587775 |
|---|---|
| CAS | 117943-37-0 |
| Molecular Weight (g/mol) | 348.52 |
| MDL Number | MFCD12828126 |
| SMILES | CCCC1CCC(CCC2CCC(CC2)C2=CC(F)=C(F)C=C2)CC1 |
| IUPAC Name | 1,2-difluoro-4-{4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl}benzene |
| InChI Key | HTAPXFSKUGZEEP-UHFFFAOYSA-N |
| Molecular Formula | C23H34F2 |
Pentafluorobenzaldehyde 96.0+%, TCI America™
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CAS: 653-37-2 Molecular Formula: C7HF5O Molecular Weight (g/mol): 196.076 MDL Number: MFCD00003303 InChI Key: QJXCFMJTJYCLFG-UHFFFAOYSA-N Synonym: pentafluorobenzaldehyde,perfluorobenzaldehyde,benzaldehyde, pentafluoro,benzaldehyde, 2,3,4,5,6-pentafluoro,unii-s9yie3jz4k,pentafluor-benzaldehyd,s9yie3jz4k,pubchem4253,pentafluoro-benzaldehyde,acmc-209nqh PubChem CID: 69558 IUPAC Name: 2,3,4,5,6-pentafluorobenzaldehyde SMILES: C(=O)C1=C(C(=C(C(=C1F)F)F)F)F
| PubChem CID | 69558 |
|---|---|
| CAS | 653-37-2 |
| Molecular Weight (g/mol) | 196.076 |
| MDL Number | MFCD00003303 |
| SMILES | C(=O)C1=C(C(=C(C(=C1F)F)F)F)F |
| Synonym | pentafluorobenzaldehyde,perfluorobenzaldehyde,benzaldehyde, pentafluoro,benzaldehyde, 2,3,4,5,6-pentafluoro,unii-s9yie3jz4k,pentafluor-benzaldehyd,s9yie3jz4k,pubchem4253,pentafluoro-benzaldehyde,acmc-209nqh |
| IUPAC Name | 2,3,4,5,6-pentafluorobenzaldehyde |
| InChI Key | QJXCFMJTJYCLFG-UHFFFAOYSA-N |
| Molecular Formula | C7HF5O |
3,4-Dichlorophenol 98.0+%, TCI America™
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CAS: 95-77-2 Molecular Formula: C6H4Cl2O Molecular Weight (g/mol): 163.00 MDL Number: MFCD00002258 InChI Key: WDNBURPWRNALGP-UHFFFAOYSA-N Synonym: 4,5-dichlorophenol,phenol, 3,4-dichloro,3,3-dichloro-hydroxybenzene,unii-070ftm6dvf,ccris 5904,070ftm6dvf,3,4-dcp,3,4-dichlorphenol,3,4dichlorophenol,3,4 dichlorophenol PubChem CID: 7258 ChEBI: CHEBI:34323 IUPAC Name: 3,4-dichlorophenol SMILES: OC1=CC=C(Cl)C(Cl)=C1
| PubChem CID | 7258 |
|---|---|
| CAS | 95-77-2 |
| Molecular Weight (g/mol) | 163.00 |
| ChEBI | CHEBI:34323 |
| MDL Number | MFCD00002258 |
| SMILES | OC1=CC=C(Cl)C(Cl)=C1 |
| Synonym | 4,5-dichlorophenol,phenol, 3,4-dichloro,3,3-dichloro-hydroxybenzene,unii-070ftm6dvf,ccris 5904,070ftm6dvf,3,4-dcp,3,4-dichlorphenol,3,4dichlorophenol,3,4 dichlorophenol |
| IUPAC Name | 3,4-dichlorophenol |
| InChI Key | WDNBURPWRNALGP-UHFFFAOYSA-N |
| Molecular Formula | C6H4Cl2O |
2-Fluoro-6-(trifluoromethyl)benzonitrile 98.0+%, TCI America™
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CAS: 133116-83-3 Molecular Formula: C8H3F4N Molecular Weight (g/mol): 189.113 MDL Number: MFCD00061153 InChI Key: OGQYJDHTHFAPRN-UHFFFAOYSA-N Synonym: 2-fluoro-6-trifluoromethyl benzonitrile,2-cyano-3-fluorobenzotrifluoride,2-fluoro-6-trifluoromethyl-benzonitrile,benzonitrile, 2-fluoro-6-trifluoromethyl,.alpha.,.alpha.,.alpha.,6-tetrafluoro-o-tolunitrile,pubchem4799,acmc-1cgr6,intermediates-zcf02031,ksc495m8r PubChem CID: 145613 IUPAC Name: 2-fluoro-6-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C(=C1)F)C#N)C(F)(F)F
| PubChem CID | 145613 |
|---|---|
| CAS | 133116-83-3 |
| Molecular Weight (g/mol) | 189.113 |
| MDL Number | MFCD00061153 |
| SMILES | C1=CC(=C(C(=C1)F)C#N)C(F)(F)F |
| Synonym | 2-fluoro-6-trifluoromethyl benzonitrile,2-cyano-3-fluorobenzotrifluoride,2-fluoro-6-trifluoromethyl-benzonitrile,benzonitrile, 2-fluoro-6-trifluoromethyl,.alpha.,.alpha.,.alpha.,6-tetrafluoro-o-tolunitrile,pubchem4799,acmc-1cgr6,intermediates-zcf02031,ksc495m8r |
| IUPAC Name | 2-fluoro-6-(trifluoromethyl)benzonitrile |
| InChI Key | OGQYJDHTHFAPRN-UHFFFAOYSA-N |
| Molecular Formula | C8H3F4N |
N-Phenyl-1-anthramine 98.0+%, TCI America™
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CAS: 98683-00-2 Molecular Formula: C20H15N Molecular Weight (g/mol): 269.347 InChI Key: QCOIZKZASBFCJG-UHFFFAOYSA-N Synonym: 1-Anilinoanthracene PubChem CID: 21444085 IUPAC Name: N-phenylanthracen-1-amine SMILES: C1=CC=C(C=C1)NC2=CC=CC3=CC4=CC=CC=C4C=C32
| PubChem CID | 21444085 |
|---|---|
| CAS | 98683-00-2 |
| Molecular Weight (g/mol) | 269.347 |
| SMILES | C1=CC=C(C=C1)NC2=CC=CC3=CC4=CC=CC=C4C=C32 |
| Synonym | 1-Anilinoanthracene |
| IUPAC Name | N-phenylanthracen-1-amine |
| InChI Key | QCOIZKZASBFCJG-UHFFFAOYSA-N |
| Molecular Formula | C20H15N |