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Home > Fluorides > 1263869-50-6
1263869-50-6 | trans-2-(3,5-Difluorophenyl)cyclopentanol
CAS No: 1263869-50-6 Catalog No: AG01FBJQ MDL No:
Product Description
Catalog Number:
AG01FBJQ
Chemical Name:
trans-2-(3,5-Difluorophenyl)cyclopentanol
CAS Number:
1263869-50-6
Molecular Formula:
C11H12F2O
Molecular Weight:
198.2092
IUPAC Name:
(1S,2R)-2-(3,5-difluorophenyl)cyclopentan-1-ol
InChI:
InChI=1S/C11H12F2O/c12-8-4-7(5-9(13)6-8)10-2-1-3-11(10)14/h4-6,10-11,14H,1-3H2/t10-,11+/m1/s1
InChI Key:
DGESKOFFHXRBTQ-MNOVXSKESA-N
SMILES:
O[C@H]1CCC[C@@H]1c1cc(F)cc(c1)F
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
198.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.213g/mol
Monoisotopic Mass:
198.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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