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Home > Fluorides > 1965290-14-5
1965290-14-5 | trans-2-(3-Fluoro-6-methoxyphenyl)cyclopentanol
CAS No: 1965290-14-5 Catalog No: AG01F9X2 MDL No:
Product Description
Catalog Number:
AG01F9X2
Chemical Name:
trans-2-(3-Fluoro-6-methoxyphenyl)cyclopentanol
CAS Number:
1965290-14-5
Molecular Formula:
C12H15FO2
Molecular Weight:
210.2447
IUPAC Name:
(1S,2R)-2-(5-fluoro-2-methoxyphenyl)cyclopentan-1-ol
InChI:
InChI=1S/C12H15FO2/c1-15-12-6-5-8(13)7-10(12)9-3-2-4-11(9)14/h5-7,9,11,14H,2-4H2,1H3/t9-,11+/m1/s1
InChI Key:
CUVDNZLWSOKJAJ-KOLCDFICSA-N
SMILES:
COc1ccc(cc1[C@H]1CCC[C@@H]1O)F
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
210.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.248g/mol
Monoisotopic Mass:
210.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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