Free Chemical Databases
-
[Synonyms]
NSC69025
5376-28-3
[Structure]
[ Properties Computed from Structure]
Molecular Weight 264.318523 [g/mol] Molecular Formula C13H13FN2OS XLogP 3.4 H-Bond Donor 0 H-Bond Acceptor 4 Rotatable Bond Count 5 Exact Mass 264.073262 MonoIsotopic Mass 264.073262 Topological Polar Surface Area 35 Heavy Atom Count 18 Formal Charge 0 Complexity 245 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3-ethoxy-6-[(2-fluorophenyl)methylsulfanyl]pyridazine
Canonical SMILES: CCOC1=NN=C(C=C1)SCC2=CC=CC=C2F
InChI: InChI=1/C13H13FN2OS/c1-2-17-12-7-8-13(16-15-12)18-9-10-5-3-4-6-11(10)14/
h3-8H,2,9H2,1H3
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