Basic information
- Standard SMILES
COC(=O)c1cc(Br)cc(-c2ccc(F)cc2)c1- InChIKey
NRYAHLBKEFIJLZ-UHFFFAOYSA-N- Molecular formula
- C14H10BrFO2
- Average molar mass
- 309.13 g/mol
Names & identifiers
- Preferred name
- Methyl 3-bromo-5-(4-fluorophenyl)benzoate
- IUPAC
- methyl 3-bromo-5-(4-fluorophenyl)benzoate
Names & synonyms
SCHEMBL4500103NRYAHLBKEFIJLZ-UHFFFAOYSA-Nmethyl 3-bromo-5-(4-fluorophenyl)benzoate
Database identifiers
- PubChem CID
- 69068418
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Related reactions
1 records
Compound notes
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