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Home > Fluorides > 116548-04-0
116548-04-0 | 3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-6-(trifluoromethyl)-
CAS No: 116548-04-0 Catalog No: AG000CRH MDL No:MFCD09749653
Product Description
Catalog Number:
AG000CRH
Chemical Name:
3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-6-(trifluoromethyl)-
CAS Number:
116548-04-0
Molecular Formula:
C7H3F3N2O
Molecular Weight:
188.1067
MDL Number:
MFCD09749653
IUPAC Name:
2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C7H3F3N2O/c8-7(9,10)5-2-1-4(3-11)6(13)12-5/h1-2H,(H,12,13)
InChI Key:
DSSUGBUBVKFSPP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc([nH]c1=O)C(F)(F)F
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.109g/mol
Monoisotopic Mass:
188.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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