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


Chemical Name: 3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-6-(trifluoromethyl)-
CAS Number: 116548-04-0
Product Number: AG000CRH(AGN-PC-00088M)
Synonyms:
MDL No:
Molecular Formula: C7H3F3N2O
Molecular Weight: 188.1067

Identification/Properties


Computed Properties
Molecular Weight:
188.109g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
188.02g/mol
Monoisotopic Mass:
188.02g/mol
Topological Polar Surface Area:
52.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
356
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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