Basic information
- CAS
62522-65-0- Standard SMILES
O=C(CF)COC(=O)c1ccccc1- InChIKey
MEIIQQDRKMJWQT-UHFFFAOYSA-N- Molecular formula
- C10H9FO3
- Average molar mass
- 196.17 g/mol
- Monoisotopic mass
- 196.05357231
Names & identifiers
- Preferred name
- Benzoic acid, fluoroacetylmethyl ester
- IUPAC
- (3-fluoro-2-oxopropyl) benzoate
- English name
- Benzoic acid 3-fluoro-2-oxopropyl ester
- Molecular formula
- C10H9FO3
- Molecular weight
- 196.18
Names & synonyms
62522-65-0Fluorohydroxyacetone benzoate1-Benzoyloxy-3-fluoropropan-2-oneBENZOIC ACID, FLUOROACETYLMETHYL ESTERBRN 2265037DTXSID90211567RefChem:327712DTXCID20134058Benzoic acid 3-fluoro-2-oxopropyl ester3-FLUORO-2-OXOPROPYL BENZOATECHEMBL3276484DB-351064
Show more names
2-Propanone, 1-(benzoyloxy)-3-fluoro-
Database identifiers
- CAS
62522-65-0- PubChem CID
- 44080
- DTXSID
DTXSID90211567- ChEMBL
CHEMBL3276484- Nikkaji
- J83.410F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 64 °C · 64 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 320.4 · 320.4±22.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…