Basic information
- CAS
1022970-75-7- Standard SMILES
O=C1CCOc2ccc([N+](=O)[O-])cc2N1- InChIKey
ABHQBRWJHSJNFL-UHFFFAOYSA-N- Molecular formula
- C9H8N2O4
- Average molar mass
- 208.17 g/mol
- Monoisotopic mass
- 208.04840674
Names & identifiers
- Preferred name
- 7-Nitro-2,3-dihydro-1,5-benzoxazepin-4(5H)-one
- IUPAC
- 7-nitro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
Names & synonyms
1022970-75-77-Nitro-2,3-dihydro-1,5-benzoxazepin-4(5H)-oneSCHEMBL2062240DTXSID00725625ABHQBRWJHSJNFL-UHFFFAOYSA-N2-Nitro-6,7-dihydro-9H-5-oxa-9-aza-benzocyclohepten-8-one
Database identifiers
- CAS
1022970-75-7- PubChem CID
- 57415944
- DTXSID
DTXSID00725625
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 276
Related reactions
4 records
Compound notes
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