2-Chloro-N-(3-nitrophenyl)propanamide
Basic information
- CAS
379255-79-5- Standard SMILES
CC(Cl)C(=O)Nc1cccc([N+](=O)[O-])c1- InChIKey
DKFBWJTZPPJWFC-UHFFFAOYSA-N- Molecular formula
- C9H9ClN2O3
- Average molar mass
- 228.63 g/mol
- Monoisotopic mass
- 228.0301698
Names & identifiers
- Preferred name
- 2-Chloro-N-(3-nitrophenyl)propanamide
- IUPAC
- 2-chloro-N-(3-nitrophenyl)propanamide
- English name
- 2-Chloro-N-(3-nitro-phenyl)-propionamide
- Molecular formula
- C9H9ClN2O3
- Molecular weight
- 228.63
Names & synonyms
2-chloro-N-(3-nitrophenyl)propanamide40781-53-1379255-79-5DTXSID90336325RefChem:259334DTXCID40287414MFCD03147405Propanamide, N-(3-nitrophenyl)-2-chloro-DKFBWJTZPPJWFC-UHFFFAOYSA-NALBB-002367BBL037312STK501990
Show more names
2-Chloro-N-(3-nitro-phenyl)-propionamide(S)-2-Chloro-N-(3-nitrophenyl)propanamidePropanamide, 2-chloro-N-(3-nitrophenyl)-, (S)- (9CI)
AKOS005171051FC114012VS-14062CS-0218711EN300-01800H22054SR-01000037475SR-01000037475-1
Database identifiers
- CAS
379255-79-5、40781-53-1- PubChem CID
- 532272
- DTXSID
DTXSID90336325
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 407.6 · 407.6±30.0 °C(Predicted)
- Density
- 1.405 · 1.405±0.06 g/cm3(Predicted)
- pka
- 12.22 · 12.22±0.70(Predicted)
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Related reactions
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Compound notes
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