6359-96-2
Product Name:
sodium 3-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-2-hydroxy-5-nitrobenzenesulphonate
Formula:
C16H11ClN5NaO7S
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COMPUTED DESCRIPTORS
| Molecular Weight | 475.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 3 |
| Exact Mass | 474.9965409 g/mol |
| Monoisotopic Mass | 474.9965409 g/mol |
| Topological Polar Surface Area | 189 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 842 |
| 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 |