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139122-40-0 | Octadecanoic acid, 2,3,4,5,6-pentafluorophenyl ester
CAS No: 139122-40-0 Catalog No: AG001ACQ MDL No:
Product Description
Catalog Number:
AG001ACQ
Chemical Name:
Octadecanoic acid, 2,3,4,5,6-pentafluorophenyl ester
CAS Number:
139122-40-0
Molecular Formula:
C24H35F5O2
Molecular Weight:
450.5255
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) octadecanoate
InChI:
InChI=1S/C24H35F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(30)31-24-22(28)20(26)19(25)21(27)23(24)29/h2-17H2,1H3
InChI Key:
VCERHYWMYNSHSJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)Oc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.256g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
450.534g/mol
Monoisotopic Mass:
450.256g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6
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