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155-11-3 | 2,4-Pyrimidinediamine, 5-fluoro-
CAS No: 155-11-3 Catalog No: AG001NJS MDL No:MFCD18377712
Product Description
Catalog Number:
AG001NJS
Chemical Name:
2,4-Pyrimidinediamine, 5-fluoro-
CAS Number:
155-11-3
Molecular Formula:
C4H5FN4
Molecular Weight:
128.1077
MDL Number:
MFCD18377712
IUPAC Name:
5-fluoropyrimidine-2,4-diamine
InChI:
InChI=1S/C4H5FN4/c5-2-1-8-4(7)9-3(2)6/h1H,(H4,6,7,8,9)
InChI Key:
RMTFEZUZAHJEFW-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(n1)N)F
NSC Number:
81284
Properties
Complexity:
98.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.05g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
128.11g/mol
Monoisotopic Mass:
128.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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