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6583-06-8

6583-06-8 structural image
Product Name: 4-NITRO-2,1,3-BENZOTHIADIAZOLE
Formula: C6H3N3O2S
Synonyms: 4-Nitropiazthiole
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COMPUTED DESCRIPTORS

Molecular Weight 181.17 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 0
Exact Mass 180.99459752 g/mol
Monoisotopic Mass 180.99459752 g/mol
Topological Polar Surface Area 99.8 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 196
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes