Basic information
- CAS
196875-96-4- Standard SMILES
Cc1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
UYLQYDZTCVQBND-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O3
- Average molar mass
- 290.7 g/mol
- Monoisotopic mass
- 290.0458199
Names & identifiers
- Preferred name
- N-(4-chloro-2-methylphenyl)-4-nitrobenzamide
- IUPAC
- N-(4-chloro-2-methylphenyl)-4-nitrobenzamide
- English name
- 4'-Chloro-2'-methyl-4-nitrobenzanilide
- Molecular formula
- C14H11ClN2O3
- Molecular weight
- 290.7
Names & synonyms
N-(4-chloro-2-methylphenyl)-4-nitrobenzamideNSC164557Oprea1_671525SCHEMBL18585818DTXSID501258728AKOS002940394NSC-164557196875-96-44'-CHLORO-2'-METHYL-4-NITROBENZANILIDEBenzamide, N-(4-chloro-2-methylphenyl)-4-nitro-
Database identifiers
- CAS
196875-96-4- PubChem CID
- 295396
- DTXSID
DTXSID501258728
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
- 364
Physicochemical properties
- Boiling point
- 376.998 · 376.998±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.395 · 1.395±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(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
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