Basic information
- Standard SMILES
O=C(Cl)N1CCOc2ccc(Br)cc2C1- InChIKey
AYPSFHGIKYZRAU-UHFFFAOYSA-N- Molecular formula
- C10H9BrClNO2
- Average molar mass
- 290.54 g/mol
- Monoisotopic mass
- 288.95052
Names & identifiers
- Preferred name
- 7-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl chloride
- IUPAC
- 7-bromo-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl chloride
Names & synonyms
SCHEMBL2707271AYPSFHGIKYZRAU-UHFFFAOYSA-N7-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl chloride
Database identifiers
- PubChem CID
- 86672020
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Related reactions
2 records
Compound notes
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