CAS
99705-29-0 Purity
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99705-29-0 Purity
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Specification
The molecular formula is C10H6ClN3O2.
The molecular weight is 235.62 g/mol.
The IUPAC name is 3-chloro-6-(4-nitrophenyl)pyridazine.
The InChI is InChI=1S/C10H6ClN3O2/c11-10-6-5-9(12-13-10)7-1-3-8(4-2-7)14(15)16/h1-6H.
The InChIKey is QODAYFZQLZHNPW-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=CC=C1C2=NN=C(C=C2)Cl)[N+](=O)[O-].
The CAS number is 99708-47-1.
The XLogP3-AA value is 2.3.
The hydrogen bond donor count is 0.