3-Benzoyloxy-4-fluorobenzyl bromide
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Basic information
- Standard SMILES
O=C(Oc1cc(CBr)ccc1F)c1ccccc1- InChIKey
IJNQEIXYWXBACW-UHFFFAOYSA-N- Molecular formula
- C14H10BrFO2
- Average molar mass
- 309.13 g/mol
- Monoisotopic mass
- 307.98482
Names & identifiers
- Preferred name
- 3-Benzoyloxy-4-fluorobenzyl bromide
- IUPAC
- [5-(bromomethyl)-2-fluorophenyl] benzoate
Names & synonyms
SCHEMBL2060208IJNQEIXYWXBACW-UHFFFAOYSA-N3-benzoyloxy-4-fluorobenzyl bromideBenzoic Acid 5-bromomethyl-2-fluoro-phenyl Ester
Database identifiers
- PubChem CID
- 16747838
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 279
Related reactions
13 records
Compound notes
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