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Home > Fluorides > 198401-76-2
198401-76-2 | 3-Pyridinemethanol, 4-(trifluoromethyl)-
CAS No: 198401-76-2 Catalog No: AG002BHN MDL No:MFCD10568162
Product Description
Catalog Number:
AG002BHN
Chemical Name:
3-Pyridinemethanol, 4-(trifluoromethyl)-
CAS Number:
198401-76-2
Molecular Formula:
C7H6F3NO
Molecular Weight:
177.1238
MDL Number:
MFCD10568162
IUPAC Name:
[4-(trifluoromethyl)pyridin-3-yl]methanol
InChI:
InChI=1S/C7H6F3NO/c8-7(9,10)6-1-2-11-3-5(6)4-12/h1-3,12H,4H2
InChI Key:
WQRWBLLHQHAGBM-UHFFFAOYSA-N
SMILES:
OCc1cnccc1C(F)(F)F
Properties
Complexity:
148
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:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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