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116092-11-6 | 4(3H)-Pyrimidinone, 6-amino-5-fluoro-2-phenyl-
CAS No: 116092-11-6 Catalog No: AG000BMA MDL No:
Product Description
Catalog Number:
AG000BMA
Chemical Name:
4(3H)-Pyrimidinone, 6-amino-5-fluoro-2-phenyl-
CAS Number:
116092-11-6
Molecular Formula:
C10H8FN3O
Molecular Weight:
205.1884
IUPAC Name:
4-amino-5-fluoro-2-phenyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C10H8FN3O/c11-7-8(12)13-9(14-10(7)15)6-4-2-1-3-5-6/h1-5H,(H3,12,13,14,15)
InChI Key:
KFZCYYMRVXRSHA-UHFFFAOYSA-N
SMILES:
Nc1nc([nH]c(=O)c1F)c1ccccc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.192g/mol
Monoisotopic Mass:
205.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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