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129605-97-6 | 4-(HYDROXYMETHYL)BENZOIC ACID PENTAFLUOROPHENYL ESTER
CAS No: 129605-97-6 Catalog No: AG0072NO MDL No:
Product Description
Catalog Number:
AG0072NO
Chemical Name:
4-(HYDROXYMETHYL)BENZOIC ACID PENTAFLUOROPHENYL ESTER
CAS Number:
129605-97-6
Molecular Formula:
C14H7F5O3
Molecular Weight:
318.1956
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) 4-(hydroxymethyl)benzoate
InChI:
InChI=1S/C14H7F5O3/c15-8-9(16)11(18)13(12(19)10(8)17)22-14(21)7-3-1-6(5-20)2-4-7/h1-4,20H,5H2
InChI Key:
QQNUCRUUWZAYOC-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)C(=O)Oc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.032g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.199g/mol
Monoisotopic Mass:
318.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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