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88951-06-8 | Benzoic acid, 4-(undecafluoropentyl)-, 4-cyanophenyl ester
CAS No: 88951-06-8 Catalog No: AG004872 MDL No:
Product Description
Catalog Number:
AG004872
Chemical Name:
Benzoic acid, 4-(undecafluoropentyl)-, 4-cyanophenyl ester
CAS Number:
88951-06-8
Molecular Formula:
C19H8F11NO2
Molecular Weight:
491.2548
IUPAC Name:
(4-cyanophenyl) 4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)benzoate
InChI:
InChI=1S/C19H8F11NO2/c20-15(21,16(22,23)17(24,25)18(26,27)19(28,29)30)12-5-3-11(4-6-12)14(32)33-13-7-1-10(9-31)2-8-13/h1-8H
InChI Key:
IBHYZTMFKNNMTQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)OC(=O)c1ccc(cc1)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
755
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.038g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
491.26g/mol
Monoisotopic Mass:
491.038g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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