3-Pyridinol, 5-(trifluoromethyl)-


Chemical Name: 3-Pyridinol, 5-(trifluoromethyl)-
CAS Number: 186593-14-6
Product Number: AG00AM0C(AGN-PC-03XRX9)
Synonyms:
MDL No:
Molecular Formula: C6H4F3NO
Molecular Weight: 163.0973

Identification/Properties


Computed Properties
Molecular Weight:
163.099g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
163.024g/mol
Monoisotopic Mass:
163.024g/mol
Topological Polar Surface Area:
33.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
136
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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