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695-78-3 | 4,5-Pyrimidinediamine,6-fluoro-
CAS No: 695-78-3 Catalog No: AG005K4F MDL No:
Product Description
Catalog Number:
AG005K4F
Chemical Name:
4,5-Pyrimidinediamine,6-fluoro-
CAS Number:
695-78-3
Molecular Formula:
C4H5FN4
Molecular Weight:
128.1077
IUPAC Name:
6-fluoropyrimidine-4,5-diamine
InChI:
InChI=1S/C4H5FN4/c5-3-2(6)4(7)9-1-8-3/h1H,6H2,(H2,7,8,9)
InChI Key:
FIWBJYGBHMEGNB-UHFFFAOYSA-N
SMILES:
Nc1c(N)ncnc1F
NSC Number:
65991
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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