6548-24-9
Product Name:
disodium 4,4'-[(phenylmethylene)bis[4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[3-chloro-5-methylbenzenesulphonate]
Formula:
C41H32Cl2N8Na2O8S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 945.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 9 |
| Exact Mass | 944.0956963 g/mol |
| Monoisotopic Mass | 944.0956963 g/mol |
| Topological Polar Surface Area | 246 Ų |
| Heavy Atom Count | 63 |
| Formal Charge | 0 |
| Complexity | 1800 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |