Basic information
- CAS
174403-62-4- Standard SMILES
COC(=O)c1ccc(Cl)c(F)c1CBr- InChIKey
SDBWKOSGCJMMHH-UHFFFAOYSA-N- Molecular formula
- C9H7BrClFO2
- Average molar mass
- 281.5 g/mol
- Monoisotopic mass
- 279.9302
Names & identifiers
- Preferred name
- Methyl 2-(bromomethyl)-4-chloro-3-fluorobenzoate
- IUPAC
- methyl 2-(bromomethyl)-4-chloro-3-fluorobenzoate
Names & synonyms
methyl 2-(bromomethyl)-4-chloro-3-fluorobenzoateSCHEMBL8747840DTXSID201237355174403-62-4
Database identifiers
- CAS
174403-62-4- PubChem CID
- 54299331
- DTXSID
DTXSID201237355
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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