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1513-71-9 | 4(3H)-Pyrimidinone, 5-amino-6-hydroxy-2-(trifluoromethyl)-
CAS No: 1513-71-9 Catalog No: AG001N9J MDL No:
Product Description
Catalog Number:
AG001N9J
Chemical Name:
4(3H)-Pyrimidinone, 5-amino-6-hydroxy-2-(trifluoromethyl)-
CAS Number:
1513-71-9
Molecular Formula:
C5H4F3N3O2
Molecular Weight:
195.0994
IUPAC Name:
5-amino-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C5H4F3N3O2/c6-5(7,8)4-10-2(12)1(9)3(13)11-4/h9H2,(H2,10,11,12,13)
InChI Key:
NJYACEGAQHWMFA-UHFFFAOYSA-N
SMILES:
Oc1nc([nH]c(=O)c1N)C(F)(F)F
NSC Number:
54815
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
195.101g/mol
Monoisotopic Mass:
195.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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