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Home > Fluorides > 1253790-72-5
1253790-72-5 | 3-Pyridinol, 4-methyl-6-(trifluoromethyl)-
CAS No: 1253790-72-5 Catalog No: AG000NKS MDL No:MFCD11848190
Product Description
Catalog Number:
AG000NKS
Chemical Name:
3-Pyridinol, 4-methyl-6-(trifluoromethyl)-
CAS Number:
1253790-72-5
Molecular Formula:
C7H6F3NO
Molecular Weight:
177.1238
MDL Number:
MFCD11848190
IUPAC Name:
4-methyl-6-(trifluoromethyl)pyridin-3-ol
InChI:
InChI=1S/C7H6F3NO/c1-4-2-6(7(8,9)10)11-3-5(4)12/h2-3,12H,1H3
InChI Key:
PDNYSGOFXWBQKB-UHFFFAOYSA-N
SMILES:
Oc1cnc(cc1C)C(F)(F)F
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.126g/mol
Monoisotopic Mass:
177.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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