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88951-27-3 | Cyclohexanecarboxylic acid, 4-(tridecafluorohexyl)-, trans-
CAS No: 88951-27-3 Catalog No: AG00486Z MDL No:
Product Description
Catalog Number:
AG00486Z
Chemical Name:
Cyclohexanecarboxylic acid, 4-(tridecafluorohexyl)-, trans-
CAS Number:
88951-27-3
Molecular Formula:
C13H11F13O2
Molecular Weight:
446.2045
IUPAC Name:
4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C13H11F13O2/c14-8(15,6-3-1-5(2-4-6)7(27)28)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h5-6H,1-4H2,(H,27,28)
InChI Key:
OYZREMJZZYHBTI-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1CC[C@H](CC1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.055g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
446.208g/mol
Monoisotopic Mass:
446.055g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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