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81089-50-1 | Benzoic acid, pentafluoro-, 2-phenylethyl ester
CAS No: 81089-50-1 Catalog No: AG005014 MDL No:
Product Description
Catalog Number:
AG005014
Chemical Name:
Benzoic acid, pentafluoro-, 2-phenylethyl ester
CAS Number:
81089-50-1
Molecular Formula:
C15H9F5O2
Molecular Weight:
316.2228
IUPAC Name:
2-phenylethyl 2,3,4,5,6-pentafluorobenzoate
InChI:
InChI=1S/C15H9F5O2/c16-10-9(11(17)13(19)14(20)12(10)18)15(21)22-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
ZGQUWVXUEJTWJW-UHFFFAOYSA-N
SMILES:
O=C(c1c(F)c(F)c(c(c1F)F)F)OCCc1ccccc1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.052g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.227g/mol
Monoisotopic Mass:
316.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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