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121591-26-2 | Acetic acid, 2,2-difluoro-2-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxy]-, methyl ester
CAS No: 121591-26-2 Catalog No: AG0015D5 MDL No:
Product Description
Catalog Number:
AG0015D5
Chemical Name:
Acetic acid, 2,2-difluoro-2-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxy]-, methyl ester
CAS Number:
121591-26-2
Molecular Formula:
C11H3F19O3
Molecular Weight:
544.1094
IUPAC Name:
methyl 2,2-difluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)acetate
InChI:
InChI=1S/C11H3F19O3/c1-32-2(31)3(12,13)33-11(29,30)9(24,25)7(20,21)5(16,17)4(14,15)6(18,19)8(22,23)10(26,27)28/h1H3
InChI Key:
WRKUDBHERVUZIX-UHFFFAOYSA-N
SMILES:
COC(=O)C(OC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
736
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
543.978g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
22
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
544.112g/mol
Monoisotopic Mass:
543.978g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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