6359-55-3
Product Name:
sodium 5-chloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]toluene-3-sulphonate
Formula:
C17H13Cl2N4NaO4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 463.3 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 461.9932258 g/mol |
| Monoisotopic Mass | 461.9932258 g/mol |
| Topological Polar Surface Area | 123 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 776 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |