Basic information
- CAS
36855-81-9- Standard SMILES
Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
QEPSIRAPSOKGGM-UHFFFAOYSA-N- Molecular formula
- C14H12N2O3
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.08479225
Names & identifiers
- Preferred name
- N-(2-Methylphenyl)-4-nitrobenzamide
- IUPAC
- N-(2-methylphenyl)-4-nitrobenzamide
- English name
- N-(2-Methylphenyl)-4-nitrobenzamide, 97%
- Molecular formula
- C14H12N2O3
- Molecular weight
- 256.26
Names & synonyms
N-(2-methylphenyl)-4-nitrobenzamide4-Nitro-N-(o-tolyl)benzamideBenzamide, 4-nitro-N-(o-tolyl)-Benzamide, N-(2-methylphenyl)-4-nitro-NSC 159384BRN 27446499WL5E32V5ENSC-159384UNII-9WL5E32V5EDTXSID501903444-12-00-01758 (Beilstein Handbook Reference)O-BENZOTOLUIDIDE, 4-NITRO-
Show more names
N-(2-Methylphenyl)-4-nitrobenzamide, 97%
RefChem:161794DTXCID60112835Benzamide, N-(2-methylphenyl)-4-nitro-(9CI)36855-81-9NSC159384starbld0004813Oprea1_490557SCHEMBL6866168
Database identifiers
- CAS
36855-81-9- PubChem CID
- 98692
- DTXSID
DTXSID50190344- ChEMBL
CHEMBL1979200- UNII
- 9WL5E32V5E
- Nikkaji
- J54.834K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Melting point
- 157 · 157-158 °C
- Boiling point
- 348.7 · 348.7±35.0 °C(Predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Predicted)
- pka
- 12.16 · 12.16±0.70(Predicted)
- FDA UNII
- 9 WL5E32V5E · 9WL5E32V5E
Chemistry & industry
Suppliers4 total
济南启源生物科技有限公司18766124282; 18766124282 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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