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141187-98-6 | 2(1H)-Pyridinone, 6-amino-4-(trifluoromethyl)-
CAS No: 141187-98-6 Catalog No: AG001G1F MDL No:
Product Description
Catalog Number:
AG001G1F
Chemical Name:
2(1H)-Pyridinone, 6-amino-4-(trifluoromethyl)-
CAS Number:
141187-98-6
Molecular Formula:
C6H5F3N2O
Molecular Weight:
178.1119
IUPAC Name:
6-amino-4-(trifluoromethyl)-1H-pyridin-2-one
InChI:
InChI=1S/C6H5F3N2O/c7-6(8,9)3-1-4(10)11-5(12)2-3/h1-2H,(H3,10,11,12)
InChI Key:
PVLJPIOIDNFPEK-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(=O)[nH]1)C(F)(F)F
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.114g/mol
Monoisotopic Mass:
178.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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