66160-56-3
Product Name:
Benzoic acid, 4-(5-chloro-4-methyl-3-oxo-2(3H)-isothiazolyl)-, ethyl ester
Formula:
C13H12ClNO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 297.76 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 297.0226421 g/mol |
| Monoisotopic Mass | 297.0226421 g/mol |
| Topological Polar Surface Area | 71.9 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 416 |
| 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 |