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1373232-58-6 | 2(1H)-Pyridinone, 5-amino-3-(trifluoromethyl)-
CAS No: 1373232-58-6 Catalog No: AG00134N MDL No:MFCD23726507
Product Description
Catalog Number:
AG00134N
Chemical Name:
2(1H)-Pyridinone, 5-amino-3-(trifluoromethyl)-
CAS Number:
1373232-58-6
Molecular Formula:
C6H5F3N2O
Molecular Weight:
178.1119
MDL Number:
MFCD23726507
IUPAC Name:
5-amino-3-(trifluoromethyl)-1H-pyridin-2-one
InChI:
InChI=1S/C6H5F3N2O/c7-6(8,9)4-1-3(10)2-11-5(4)12/h1-2H,10H2,(H,11,12)
InChI Key:
BPJZAXHGXOGOGS-UHFFFAOYSA-N
SMILES:
FC(c1cc(N)c[nH]c1=O)(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:
0.1
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