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719-21-1 | 2-amino-5-fluoro-6-(pentafluoroethyl)pyrimidin-4(1h)-one
CAS No: 719-21-1 Catalog No: AG005EX3 MDL No:
Product Description
Catalog Number:
AG005EX3
Chemical Name:
2-amino-5-fluoro-6-(pentafluoroethyl)pyrimidin-4(1h)-one
CAS Number:
719-21-1
Molecular Formula:
C6H3F6N3O
Molecular Weight:
247.0979
IUPAC Name:
2-amino-5-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C6H3F6N3O/c7-1-2(5(8,9)6(10,11)12)14-4(13)15-3(1)16/h(H3,13,14,15,16)
InChI Key:
JQWQCNPRYPXQCY-UHFFFAOYSA-N
SMILES:
O=c1nc(N)[nH]c(c1F)C(C(F)(F)F)(F)F
NSC Number:
33042
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.018g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.1g/mol
Monoisotopic Mass:
247.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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