3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-2-oxo-4-(trifluoromethyl)-


Chemical Name: 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-2-oxo-4-(trifluoromethyl)-
CAS Number: 3335-46-4
Product Number: AG003G4P(AGN-PC-0O90RT)
Synonyms:
MDL No:
Molecular Formula: C7H3F3N2O2
Molecular Weight: 204.1061

Identification/Properties


Properties
MP:
285 °C
BP:
582.2°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
204.108g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
0
Exact Mass:
204.015g/mol
Monoisotopic Mass:
204.015g/mol
Topological Polar Surface Area:
73.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
397
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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