306935-68-2
Product Name:
2,5-DICHLORO-4-(5-HYDROXY-3-METHYL-1H-PYRAZOL-1-YL)BENZENESULFONIC ACID DIHYDRATE
Formula:
C10H12Cl2N2O6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 359.2 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 357.9793127 g/mol |
| Monoisotopic Mass | 357.9793127 g/mol |
| Topological Polar Surface Area | 97.1 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 516 |
| 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 | 3 |
| Compound Is Canonicalized | Yes |