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Home > Fluorides > 116548-03-9
116548-03-9 | 3-Pyridinecarboxamide, 1,2-dihydro-2-oxo-6-(trifluoromethyl)-
CAS No: 116548-03-9 Catalog No: AG000CRI MDL No:MFCD00243729
Product Description
Catalog Number:
AG000CRI
Chemical Name:
3-Pyridinecarboxamide, 1,2-dihydro-2-oxo-6-(trifluoromethyl)-
CAS Number:
116548-03-9
Molecular Formula:
C7H5F3N2O2
Molecular Weight:
206.1220
MDL Number:
MFCD00243729
IUPAC Name:
2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
InChI:
InChI=1S/C7H5F3N2O2/c8-7(9,10)4-2-1-3(5(11)13)6(14)12-4/h1-2H,(H2,11,13)(H,12,14)
InChI Key:
BZMWJLRKOIRLSU-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc([nH]c1=O)C(F)(F)F
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.124g/mol
Monoisotopic Mass:
206.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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