6583-06-8
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 |