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88951-17-1 | Cyclohexanecarboxylic acid, 4-(pentadecafluoroheptyl)-, methyl ester
CAS No: 88951-17-1 Catalog No: AG0047IF MDL No:
Product Description
Catalog Number:
AG0047IF
Chemical Name:
Cyclohexanecarboxylic acid, 4-(pentadecafluoroheptyl)-, methyl ester
CAS Number:
88951-17-1
Molecular Formula:
C15H13F15O2
Molecular Weight:
510.2386
IUPAC Name:
methyl 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)cyclohexane-1-carboxylate
InChI:
InChI=1S/C15H13F15O2/c1-32-8(31)6-2-4-7(5-3-6)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h6-7H,2-5H2,1H3
InChI Key:
QMBKVVQPTHZMIX-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCC(CC1)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
689
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
510.068g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
510.243g/mol
Monoisotopic Mass:
510.068g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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