16644-98-7 Purity
96%
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Specification
The molecular formula of 4-Nitro-2,1,3-benzoselenadiazole is C6H3N3O2Se.
The molecular weight of 4-Nitro-2,1,3-benzoselenadiazole is 228.08 g/mol.
The IUPAC name of 4-Nitro-2,1,3-benzoselenadiazole is 4-nitro-2,1,3-benzoselenadiazole.
The InChI of 4-Nitro-2,1,3-benzoselenadiazole is InChI=1S/C6H3N3O2Se/c10-9(11)5-3-1-2-4-6(5)8-12-7-4/h1-3H.
The InChIKey of 4-Nitro-2,1,3-benzoselenadiazole is PUKFAFPOBCMYAI-UHFFFAOYSA-N.
The canonical SMILES of 4-Nitro-2,1,3-benzoselenadiazole is C1=CC2=N[Se]N=C2C(=C1)[N+](=O)[O-].
The CAS number of 4-Nitro-2,1,3-benzoselenadiazole is 20718-41-6.
The European Community (EC) number of 4-Nitro-2,1,3-benzoselenadiazole is 630-708-0.
The DSSTox Substance ID of 4-Nitro-2,1,3-benzoselenadiazole is DTXSID30400099.
Yes, 4-Nitro-2,1,3-benzoselenadiazole is a canonicalized compound according to PubChem.