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Home > Fluorides > 1965290-22-5
1965290-22-5 | trans-2-[3-(Trifluoromethoxy)phenyl]cyclohexanol
CAS No: 1965290-22-5 Catalog No: AG01F9MJ MDL No:
Product Description
Catalog Number:
AG01F9MJ
Chemical Name:
trans-2-[3-(Trifluoromethoxy)phenyl]cyclohexanol
CAS Number:
1965290-22-5
Molecular Formula:
C13H15F3O2
Molecular Weight:
260.2522
IUPAC Name:
(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
InChI:
InChI=1S/C13H15F3O2/c14-13(15,16)18-10-5-3-4-9(8-10)11-6-1-2-7-12(11)17/h3-5,8,11-12,17H,1-2,6-7H2/t11-,12+/m0/s1
InChI Key:
XEAJLCJMDSDZPL-NWDGAFQWSA-N
SMILES:
O[C@@H]1CCCC[C@H]1c1cccc(c1)OC(F)(F)F
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
260.102g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.256g/mol
Monoisotopic Mass:
260.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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