5089-16-7
Product Name:
disodium 2,5-dichloro-4-[4-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate
Formula:
C19H13Cl4N8NaO7S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 714.3 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 5 |
| Exact Mass | 713.863386 g/mol |
| Monoisotopic Mass | 711.866336 g/mol |
| Topological Polar Surface Area | 239 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 1200 |
| 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 |