131924-53-3
Product Name:
4H-1-Benzopyran-4-one, 2-(1-methyl-1H-1,2,3-triazol-4-yl)-6-nitro-
Formula:
C12H8N4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 272.22 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 272.05455475 g/mol |
| Monoisotopic Mass | 272.05455475 g/mol |
| Topological Polar Surface Area | 103 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 461 |
| 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 |