Basic information
- CAS
17710-05-3- Standard SMILES
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1- InChIKey
WULRAUCDJRNTCH-UHFFFAOYSA-N- Molecular formula
- C13H11N3O3
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.08004122
Names & identifiers
- Preferred name
- Benzamide, N-(5-methyl-2-pyridinyl)-4-nitro-
- IUPAC
- N-(5-methyl-2-pyridinyl)-4-nitrobenzamide
- English name
- Benzamide, N-(5-methyl-2-pyridinyl)-4-nitro-
- Molecular formula
- C13H11N3O3
- Molecular weight
- 257.24
Names & synonyms
Benzamide, N-(5-methyl-2-pyridinyl)-4-nitro-BRN 0484695N-(5-Methyl-2-pyridinyl)-4-nitrobenzamide17710-05-3DTXSID001702525-22-09-00293 (Beilstein Handbook Reference)RefChem:322406DTXCID5092743N-(5-methylpyridin-2-yl)-4-nitrobenzamideOprea1_112488Oprea1_573746AKOS001313103
Show more names
Z59421168
Database identifiers
- CAS
17710-05-3- PubChem CID
- 205258
- DTXSID
DTXSID00170252
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Melting point
- 170 · 170-180 °C(Solv: ethanol (64-17-5))
- Boiling point
- 376.8 · 376.8±37.0 °C(Predicted)
- Density
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- pka
- 10.85 · 10.85±0.70(Predicted)
- EWG's Food Scores
- 1 · 1
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
Loading…