Basic information
- CAS
36855-59-1- Standard SMILES
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1- InChIKey
BAPPJGGUEQSRQB-UHFFFAOYSA-N- Molecular formula
- C14H13N3O3
- Average molar mass
- 271.27 g/mol
- Monoisotopic mass
- 271.09569129
Names & identifiers
- Preferred name
- Benzamide, N-(2,6-dimethyl-3-pyridinyl)-4-nitro-
- IUPAC
- N-(2,6-dimethyl-3-pyridinyl)-4-nitrobenzamide
- English name
- Benzamide, N-(2,6-dimethyl-3-pyridinyl)-4-nitro-
- Molecular formula
- C14H13N3O3
- Molecular weight
- 271.27
Names & synonyms
BRN 0423219Benzamide, N-(2,6-dimethyl-3-pyridinyl)-4-nitro-N-(2,6-Dimethyl-3-pyridinyl)-4-nitrobenzamide36855-59-1DTXSID401903335-22-09-00415 (Beilstein Handbook Reference)RefChem:322149DTXCID50112824n-(2,6-dimethylpyridin-3-yl)-4-nitrobenzamide
Database identifiers
- CAS
36855-59-1- PubChem CID
- 215947
- DTXSID
DTXSID40190333
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- Boiling point
- 363.4 · 363.4±42.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- pka
- 11.24 · 11.24±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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