Basic information
- CAS
383130-79-8- Standard SMILES
COc1ccc(Br)cc1C1CCCCCN1- InChIKey
MLYZPOYETYXDCU-UHFFFAOYSA-N- Molecular formula
- C13H18BrNO
- Average molar mass
- 284.19 g/mol
- Monoisotopic mass
- 283.05718
Names & identifiers
- Preferred name
- 2-(5-Bromo-2-methoxyphenyl)azepane
- IUPAC
- 2-(5-bromo-2-methoxyphenyl)azepane
Names & synonyms
2-(5-bromo-2-methoxyphenyl)azepane2-(5-Bromo-2-methoxyphenyl)hexahydro-1H-azepineDTXSID901243131383130-79-8
Database identifiers
- CAS
383130-79-8- PubChem CID
- 5111844
- DTXSID
DTXSID901243131
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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