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Specification
The molecular formula of the compound is C11H6Cl2N2O3.
The synonyms of the compound are 4-(4,5-dichloro-6-oxopyridazin-1(6H)-yl)benzoic acid, 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoic acid, Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, and 4-(4,5-dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid.
The molecular weight of the compound is 285.08 g/mol.
The IUPAC name of the compound is 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoic acid.
The InChI of the compound is InChI=1S/C11H6Cl2N2O3/c12-8-5-14-15(10(16)9(8)13)7-3-1-6(2-4-7)11(17)18/h1-5H,(H,17,18).
The InChIKey of the compound is PAXANYFYBRBZOE-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC(=CC=C1C(=O)O)N2C(=O)C(=C(C=N2)Cl)Cl.
The CAS number of the compound is 1147-64-4.
Yes, the compound is canonicalized.