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Home > Fluorides > 1356114-05-0
1356114-05-0 | 3-(6-(Trifluoromethyl)pyridin-3-yl)benzyl alcohol
CAS No: 1356114-05-0 Catalog No: AG01F9A7 MDL No:
Product Description
Catalog Number:
AG01F9A7
Chemical Name:
3-(6-(Trifluoromethyl)pyridin-3-yl)benzyl alcohol
CAS Number:
1356114-05-0
Molecular Formula:
C13H10F3NO
Molecular Weight:
253.2198
IUPAC Name:
[3-[6-(trifluoromethyl)pyridin-3-yl]phenyl]methanol
InChI:
InChI=1S/C13H10F3NO/c14-13(15,16)12-5-4-11(7-17-12)10-3-1-2-9(6-10)8-18/h1-7,18H,8H2
InChI Key:
ZOYPQHVEMYYENC-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)c1ccc(nc1)C(F)(F)F
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.224g/mol
Monoisotopic Mass:
253.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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