Basic information
- CAS
104856-46-4- Standard SMILES
O=C(OCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F- InChIKey
WLPUFAZAMBXLPF-UHFFFAOYSA-N- Molecular formula
- C14H7F5O2
- Average molar mass
- 302.2 g/mol
- Monoisotopic mass
- 302.03662056
Names & identifiers
- Preferred name
- Pentafluorobenzoic acid, benzyl ester
- IUPAC
- benzyl 2,3,4,5,6-pentafluorobenzoate
Names & synonyms
benzyl pentafluorobenzoatePentafluorobenzoic acid, benzyl esterBenzyl 2,3,4,5,6-pentafluorobenzoate104856-46-42,3,4,5,6-Pentafluorobenzoic acid benzyl esterBenzoic acid, pentafluoro-, phenylmethyl esterPVN864MED2SCHEMBL4507007DTXSID601377105AKOS002723528Phenylmethyl 2,3,4,5,6-pentafluorobenzoate
Database identifiers
- CAS
104856-46-4- PubChem CID
- 517856
- DTXSID
DTXSID601377105- UNII
- PVN864MED2
- Nikkaji
- J542.522K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 345
Related reactions
6 records
Compound notes
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