1-Chloro-3-(2-nitrophenyl)propan-2-one
Basic information
- CAS
38694-35-8- Standard SMILES
O=C(CCl)Cc1ccccc1[N+](=O)[O-]- InChIKey
ICBOLZDNMKRQDV-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO3
- Average molar mass
- 213.62 g/mol
- Monoisotopic mass
- 213.0192708
Names & identifiers
- Preferred name
- 1-Chloro-3-(2-nitrophenyl)propan-2-one
- IUPAC
- 1-chloro-3-(2-nitrophenyl)propan-2-one
Names & synonyms
1-chloro-3-(2-nitrophenyl)propan-2-one38694-35-8MFCD147075191-Chloro-3-(2-nitrophenyl)-2-propanonestarbld0044136SCHEMBL3013036DTXSID901283961AKOS040768189SY526108
Database identifiers
- CAS
38694-35-8- PubChem CID
- 20076843
- DTXSID
DTXSID901283961
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…