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117383-09-2 | Acetic acid, 2,2,2-trifluoro-, 4-chlorocyclohexyl ester
CAS No: 117383-09-2 Catalog No: AG000E6Y MDL No:
Product Description
Catalog Number:
AG000E6Y
Chemical Name:
Acetic acid, 2,2,2-trifluoro-, 4-chlorocyclohexyl ester
CAS Number:
117383-09-2
Molecular Formula:
C8H10ClF3O2
Molecular Weight:
230.6120
IUPAC Name:
(4-chlorocyclohexyl) 2,2,2-trifluoroacetate
InChI:
InChI=1S/C8H10ClF3O2/c9-5-1-3-6(4-2-5)14-7(13)8(10,11)12/h5-6H,1-4H2
InChI Key:
CVNWTXPCTPBKET-UHFFFAOYSA-N
SMILES:
ClC1CCC(CC1)OC(=O)C(F)(F)F
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.611g/mol
Monoisotopic Mass:
230.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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