6359-95-1
Product Name:
disodium 2-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate
Formula:
C20H13ClN4Na2O7S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 566.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 3 |
| Exact Mass | 565.9709574 g/mol |
| Monoisotopic Mass | 565.9709574 g/mol |
| Topological Polar Surface Area | 189 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 1040 |
| 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 | 3 |
| Compound Is Canonicalized | Yes |