Basic information
- Standard SMILES
O=C1C2=C(C=CC1Br)CCCCC2- InChIKey
KQNACOHJALDMLQ-UHFFFAOYSA-N- Molecular formula
- C11H13BrO
- Average molar mass
- 241.12 g/mol
Names & identifiers
- Preferred name
- 2-Bromobenzocycloheptan-1-one
- IUPAC
- 3-bromo-3,5,6,7,8,9-hexahydrobenzo[7]annulen-4-one
Names & synonyms
2-bromobenzocycloheptan-1-oneSCHEMBL7996525KQNACOHJALDMLQ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21703315
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 288
Related reactions
3 records
Compound notes
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