1909316-62-6
Product Name:
Benzoic acid, 2-(chlorosulfonyl)-5-cyano-, methyl ester
Formula:
C9H6ClNO4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 259.67 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 258.9706065 g/mol |
| Monoisotopic Mass | 258.9706065 g/mol |
| Topological Polar Surface Area | 92.6 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 419 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |