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Home > Fluorides > 1965290-27-0
1965290-27-0 | trans-2-[3-(Trifluoromethoxy)phenyl]cyclopentanol
CAS No: 1965290-27-0 Catalog No: AG01F9D4 MDL No:
Product Description
Catalog Number:
AG01F9D4
Chemical Name:
trans-2-[3-(Trifluoromethoxy)phenyl]cyclopentanol
CAS Number:
1965290-27-0
Molecular Formula:
C12H13F3O2
Molecular Weight:
246.2256
IUPAC Name:
(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-ol
InChI:
InChI=1S/C12H13F3O2/c13-12(14,15)17-9-4-1-3-8(7-9)10-5-2-6-11(10)16/h1,3-4,7,10-11,16H,2,5-6H2/t10-,11+/m0/s1
InChI Key:
IIDSBMAYDBFUHP-WDEREUQCSA-N
SMILES:
O[C@@H]1CCC[C@H]1c1cccc(c1)OC(F)(F)F
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
246.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.229g/mol
Monoisotopic Mass:
246.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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