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144194-04-7 | Cyclohexanecarboxylic acid, 1-(1,1,2,2-tetrafluoroethyl)-
CAS No: 144194-04-7 Catalog No: AG001J33 MDL No:
Product Description
Catalog Number:
AG001J33
Chemical Name:
Cyclohexanecarboxylic acid, 1-(1,1,2,2-tetrafluoroethyl)-
CAS Number:
144194-04-7
Molecular Formula:
C9H12F4O2
Molecular Weight:
228.1840
IUPAC Name:
1-(1,1,2,2-tetrafluoroethyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C9H12F4O2/c10-6(11)9(12,13)8(7(14)15)4-2-1-3-5-8/h6H,1-5H2,(H,14,15)
InChI Key:
LJIPDHDAWUUROB-UHFFFAOYSA-N
SMILES:
FC(C(C1(CCCCC1)C(=O)O)(F)F)F
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.187g/mol
Monoisotopic Mass:
228.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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