Basic information
- Standard SMILES
COC(=O)C1=CC=CC(F)(Br)C1- InChIKey
ARDSYZUSCUACAJ-UHFFFAOYSA-N- Molecular formula
- C8H8BrFO2
- Average molar mass
- 235.05 g/mol
- Monoisotopic mass
- 233.96917
Names & identifiers
- Preferred name
- Methyl-3-bromo-3-fluorobenzoate
- IUPAC
- methyl 5-bromo-5-fluorocyclohexa-1,3-diene-1-carboxylate
Names & synonyms
methyl-3-bromo-3-fluorobenzoateSCHEMBL21693727ARDSYZUSCUACAJ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 86601700
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 260
Related reactions
1 records
Compound notes
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