Free Chemical Databases
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[Synonyms]
3-Chloro-6-methyl-4-pyridazinol
4-Pyridazinol, 3-chloro-6-methyl-
BRN 4791004
LS-129730
22390-52-9
[Structure]
[ Properties Computed from Structure]
Molecular Weight 144.559 [g/mol] Molecular Formula C5H5ClN2O XLogP 1.2 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 0 Tautomer Count 9 Exact Mass 144.009041 MonoIsotopic Mass 144.009041 Topological Polar Surface Area 41.5 Heavy Atom Count 9 Formal Charge 0 Complexity 207 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-chloro-6-methyl-1H-pyridazin-4-one
Canonical SMILES: CC1=CC(=O)C(=NN1)Cl
InChI: InChI=1/C5H5ClN2O/c1-3-2-4(9)5(6)8-7-3/h2H,1H3,(H,7,9)/f/h7H
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