Basic information
- Standard SMILES
O=C1NCCCCCC1Br- InChIKey
XWFHRFPXRGEOGA-UHFFFAOYSA-N- Molecular formula
- C7H12BrNO
- Average molar mass
- 206.08 g/mol
- Monoisotopic mass
- 205.01023
Names & identifiers
- Preferred name
- 3-Bromoazocan-2-one
- IUPAC
- 3-bromoazocan-2-one
Names & synonyms
3-bromoazocan-2-one32566-61-33-Bromo-2-azocanone #3-bromoperhydroazocin-2-oneSCHEMBL10914489Octahydroazocine, 3-bromo-2-oxo-EN300-7662193
Database identifiers
- PubChem CID
- 567205
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Related reactions
2 records
Compound notes
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