3-Pyridinecarboxylic acid, 2-(trifluoromethyl)-, methyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 2-(trifluoromethyl)-, methyl ester
CAS Number: 136483-17-5
Product Number: AG0011W2(AGN-PC-01V5NT)
Synonyms:
MDL No:
Molecular Formula: C8H6F3NO2
Molecular Weight: 205.1339

Identification/Properties


Computed Properties
Molecular Weight:
205.136g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
205.035g/mol
Monoisotopic Mass:
205.035g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
217
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:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H320-H335
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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