Basic information
- CAS
497960-74-4- Standard SMILES
O=C1C=Cc2cc([N+](=O)[O-])ccc2OC1- InChIKey
XHWHSKZVTAFBSU-UHFFFAOYSA-N- Molecular formula
- C10H7NO4
- Average molar mass
- 205.17 g/mol
- Monoisotopic mass
- 205.0375077
Names & identifiers
- Preferred name
- 7-Nitro-1-benzoxepin-3(2H)-one
- IUPAC
- 7-nitro-1-benzoxepin-3-one
Names & synonyms
7-Nitro-1-benzoxepin-3(2H)-one497960-74-4DTXSID60786075
Database identifiers
- CAS
497960-74-4- PubChem CID
- 71362452
- DTXSID
DTXSID60786075- Nikkaji
- J1.870.763B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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