Basic information
- CAS
62434-94-0- Standard SMILES
O=C(Cc1ccccc1)OCc1c(F)c(F)c(F)c(F)c1F- InChIKey
LHCDMGVACZKSSW-UHFFFAOYSA-N- Molecular formula
- C15H9F5O2
- Average molar mass
- 316.22 g/mol
- Monoisotopic mass
- 316.05227034
Names & identifiers
- Preferred name
- Benzeneacetic acid, (pentafluorophenyl)methyl ester
- IUPAC
- (2,3,4,5,6-pentafluorophenyl)methyl 2-phenylacetate
Names & synonyms
62434-94-0DTXSID30340269Benzeneacetic acid, (pentafluorophenyl)methyl esterRefChem:324101DTXCID00291350Phenylacetic acid pentafluorobenzyl esterLHCDMGVACZKSSW-UHFFFAOYSA-N(Pentafluorophenyl)methyl phenylacetate2,3,4,5,6-Pentafluorobenzyl phenylacetate #
Database identifiers
- CAS
62434-94-0- PubChem CID
- 563145
- DTXSID
DTXSID30340269- Nikkaji
- J543.041K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…