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Home > Fluorides > 139122-42-2
139122-42-2 | Hexadecanoic acid, 2,3,4,5,6-pentafluorophenyl ester
CAS No: 139122-42-2 Catalog No: AG001ACP MDL No:
Product Description
Catalog Number:
AG001ACP
Chemical Name:
Hexadecanoic acid, 2,3,4,5,6-pentafluorophenyl ester
CAS Number:
139122-42-2
Molecular Formula:
C22H31F5O2
Molecular Weight:
422.4724
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) hexadecanoate
InChI:
InChI=1S/C22H31F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(28)29-22-20(26)18(24)17(23)19(25)21(22)27/h2-15H2,1H3
InChI Key:
STGCKLMCGBBPOO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)Oc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.224g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.48g/mol
Monoisotopic Mass:
422.224g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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