Basic information
- CAS
329940-29-6- Standard SMILES
Cc1ccc(C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-]- InChIKey
KYRACTJBDWNWFP-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O3
- Average molar mass
- 290.7 g/mol
- Monoisotopic mass
- 290.0458199
Names & identifiers
- Preferred name
- N-(2-chlorophenyl)-4-methyl-3-nitrobenzamide
- IUPAC
- N-(2-chlorophenyl)-4-methyl-3-nitrobenzamide
- English name
- N-(2-Chlorophenyl)-4-methyl-3-nitrobenzamide
- Molecular formula
- C14H11ClN2O3
- Molecular weight
- 290.7
Names & synonyms
N-(2-chlorophenyl)-4-methyl-3-nitrobenzamideOprea1_262476Oprea1_535223STK417270AKOS000578632ST010815N-(2-chlorophenyl)(4-methyl-3-nitrophenyl)carboxamideBenzamide, N-(2-chlorophenyl)-4-methyl-3-nitro-
Database identifiers
- CAS
329940-29-6- PubChem CID
- 710832
- EC Number
- 141-037-3
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Boiling point
- 368.661 · 368.661±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.395 · 1.395±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.61 · 11.610±0.70(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…