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Home > Fluorides > 1965290-21-4
1965290-21-4 | trans-2-[4-(Trifluoromethoxy)phenyl]cyclohexanol
CAS No: 1965290-21-4 Catalog No: AG01F9MI MDL No:
Product Description
Catalog Number:
AG01F9MI
Chemical Name:
trans-2-[4-(Trifluoromethoxy)phenyl]cyclohexanol
CAS Number:
1965290-21-4
Molecular Formula:
C13H15F3O2
Molecular Weight:
260.2522
IUPAC Name:
(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
InChI:
InChI=1S/C13H15F3O2/c14-13(15,16)18-10-7-5-9(6-8-10)11-3-1-2-4-12(11)17/h5-8,11-12,17H,1-4H2/t11-,12+/m0/s1
InChI Key:
WLQQMDQMFWCOAF-NWDGAFQWSA-N
SMILES:
O[C@@H]1CCCC[C@H]1c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
260
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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