Basic information
- CAS
46270-50-2- Standard SMILES
COc1ccccc1C(=O)C[N+](=O)[O-]- InChIKey
NYNFYXRJZOWTLI-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
- Monoisotopic mass
- 195.05315777
Names & identifiers
- Preferred name
- 1-(2-Methoxyphenyl)-2-nitroethanone
- IUPAC
- 1-(2-methoxyphenyl)-2-nitroethanone
Names & synonyms
1-(2-methoxyphenyl)-2-nitroethanone46270-50-2DTXSID00325942RefChem:223653DTXCID00277058NSC5220631-(2-methoxyphenyl)-2-nitro-ethanoneNSC-5220631-(2-Methoxyphenyl)-2-nitroethan-1-oneDS-008001
Database identifiers
- CAS
46270-50-2- PubChem CID
- 351514
- DTXSID
DTXSID00325942
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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