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Home > Fluorides > 1349718-62-2
1349718-62-2 | 4-(6-Trifluoromethylphenyl)benzyl alcohol
CAS No: 1349718-62-2 Catalog No: AG01FBKO MDL No:
Product Description
Catalog Number:
AG01FBKO
Chemical Name:
4-(6-Trifluoromethylphenyl)benzyl alcohol
CAS Number:
1349718-62-2
Molecular Formula:
C13H10F3NO
Molecular Weight:
253.2198
IUPAC Name:
[4-[6-(trifluoromethyl)pyridin-3-yl]phenyl]methanol
InChI:
InChI=1S/C13H10F3NO/c14-13(15,16)12-6-5-11(7-17-12)10-3-1-9(8-18)2-4-10/h1-7,18H,8H2
InChI Key:
AXLFPKJQAXAARH-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)c1ccc(nc1)C(F)(F)F
Properties
Complexity:
262
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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