Basic information
- Standard SMILES
CCOC(=O)N1CCC(=O)C(Br)CC1- InChIKey
PPQVMMOCNLLGRH-UHFFFAOYSA-N- Molecular formula
- C9H14BrNO3
- Average molar mass
- 264.12 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-bromo-5-oxo-azepan-1-carboxylate
- IUPAC
- ethyl 4-bromo-5-oxoazepane-1-carboxylate
Names & synonyms
SCHEMBL4521914PPQVMMOCNLLGRH-UHFFFAOYSA-Nethyl 4-bromo-5-oxo-azepan-1-carboxylate
Database identifiers
- PubChem CID
- 69077672
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Related reactions
3 records
Compound notes
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