85391-83-9
Product Name:
7-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-3-[(4-methoxy-2-sulphophenyl)azo]naphthalene-2-sulphonic acid, sodium salt
Formula:
C21H12ClF2N5Na2O8S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 645.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 5 |
| Exact Mass | 644.9579273 g/mol |
| Monoisotopic Mass | 644.9579273 g/mol |
| Topological Polar Surface Area | 223 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 1070 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |