Basic information
- CAS
63892-06-8- Standard SMILES
Nc1ccccc1C(=O)C[N+](=O)[O-]- InChIKey
BCAHFOPUWFFFOA-UHFFFAOYSA-N- Molecular formula
- C8H8N2O3
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.05349212
Names & identifiers
- Preferred name
- 1-(2-Aminophenyl)-2-nitroethanone
- IUPAC
- 1-(2-aminophenyl)-2-nitroethanone
Names & synonyms
1-(2-AMINOPHENYL)-2-NITROETHANONE63892-06-8DTXSID80213515RefChem:223164DTXCID101360061-(2-aminophenyl)-2-nitroethan-1-oneSCHEMBL6834051
Database identifiers
- CAS
63892-06-8- PubChem CID
- 45055
- DTXSID
DTXSID80213515- Nikkaji
- J1.623.003K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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