Basic information
- Standard SMILES
Brc1ccc2c(c1)OCCCC2- InChIKey
JYXFXTKREIMIDI-UHFFFAOYSA-N- Molecular formula
- C10H11BrO
- Average molar mass
- 227.1 g/mol
Names & identifiers
- Preferred name
- 8-Bromo-2,3,4,5-tetrahydrobenzo[b]oxepine
- IUPAC
- 8-bromo-2,3,4,5-tetrahydro-1-benzoxepine
Names & synonyms
8-Bromo-2,3,4,5-tetrahydrobenzo[b]oxepine129790-23-4SCHEMBL3519647JYXFXTKREIMIDI-UHFFFAOYSA-N8-bromo-2,3,4,5-tetrahydro-1-benzoxepine
Database identifiers
- PubChem CID
- 19935534
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Related reactions
13 records
Compound notes
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