CAS
65756-25-4 Purity
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65756-25-4 Purity
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Specification
The molecular formula is C6H3N3O2S.
The molecular weight is 181.17 g/mol.
It was created on March 26, 2005.
The IUPAC Name is 4-nitro-2,1,3-benzothiadiazole.
The InChIKey is IWQKAMJGVIHECB-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC2=NSN=C2C(=C1)[N+](=O)[O-].
The CAS number is 6583-06-8.
There are 5 hydrogen bond acceptors.
The topological polar surface area is 99.8 Ų.
There is 1 covalently-bonded unit.