947534-73-8 Purity
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Specification
The molecular formula of the compound is C10H6N4O2S.
The synonyms of the compound are 947534-76-1, 6-(3-nitrophenyl)imidazo[1,2-d][1,2,4]thiadiazole, 6-(3-NITRO-PHENYL)-IMIDAZO[1,2-D][1,2,4]THIADIAZOLE, and DTXSID30669664.
The molecular weight of the compound is 246.25 g/mol.
The IUPAC name of the compound is 6-(3-nitrophenyl)imidazo[1,2-d][1,2,4]thiadiazole.
The InChI of the compound is InChI=1S/C10H6N4O2S/c15-14(16)8-3-1-2-7(4-8)9-5-13-6-11-17-10(13)12-9/h1-6H.
The InChIKey of the compound is KSARWFSCMMZSTJ-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC(=CC(=C1)[N+](=O)[O-])C2=CN3C=NSC3=N2.
The CAS number of the compound is 947534-76-1.
The XLogP3-AA value of the compound is 3.2.
Yes, the compound is canonicalized.
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