Basic information
- CAS
36845-09-7- Standard SMILES
Cc1cc(C)nc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1- InChIKey
BDOZHDJNGDWOLP-UHFFFAOYSA-N- Molecular formula
- C14H13N3O3
- Average molar mass
- 271.27 g/mol
- Monoisotopic mass
- 271.09569129
Names & identifiers
- Preferred name
- Benzamide, N-(4,6-dimethyl-2-pyridinyl)-4-nitro-
- IUPAC
- N-(4,6-dimethyl-2-pyridinyl)-4-nitrobenzamide
- English name
- Benzamide, N-(4,6-dimethyl-2-pyridinyl)-4-nitro-
- Molecular formula
- C14H13N3O3
- Molecular weight
- 271.27
Names & synonyms
BRN 0417137Benzamide, N-(4,6-dimethyl-2-pyridinyl)-4-nitro-N-(4,6-Dimethyl-2-pyridinyl)-4-nitrobenzamide36845-09-7DTXSID001903195-22-09-00406 (Beilstein Handbook Reference)RefChem:322356DTXCID60112810n-(4,6-dimethylpyridin-2-yl)-4-nitrobenzamideCHEMBL153288AKOS003848072
Database identifiers
- CAS
36845-09-7- PubChem CID
- 215932
- DTXSID
DTXSID00190319- ChEMBL
CHEMBL153288- Nikkaji
- J2.022.421E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Melting point
- 163 °C · 163 °C(Solv: water (7732-18-5); ethanol (64-17-5))
- Boiling point
- 379.3 · 379.3±42.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- pka
- 10.85 · 10.85±0.70(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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