C1=CC=C(C=C1)COC(=O)C2=C(C(=C(C(=C2F)F)F)F)F
CAS: 104856-46-4
Nombre: benzyl 2,3,4,5,6-pentafluorobenzoate
SMILES: C1=CC=C(C=C1)COC(=O)C2=C(C(=C(C(=C2F)F)F)F)F

Molecular Processing

Molecular formula
C14H7F5O2
Molecular weight
302.2
Exact mass
302.0366
XLogP
3.74
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
61.79

Supplementary Information

InChIKey: WLPUFAZAMBXLPF-UHFFFAOYSA-N
Sinónimos
benzyl pentafluorobenzoatePentafluorobenzoic acid, benzyl esterBenzyl 2,3,4,5,6-pentafluorobenzoate2,3,4,5,6-Pentafluorobenzoic acid benzyl ester104856-46-4Benzoic acid, pentafluoro-, phenylmethyl esterPVN864MED2SCHEMBL4507007DTXSID601377105AKOS002723528Phenylmethyl 2,3,4,5,6-pentafluorobenzoate
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