1807034-39-4
Product Name:
Benzoic acid, 6-cyano-3-(hydroxymethyl)-2-[(trifluoromethyl)thio]-, ethyl ester
Formula:
C12H10F3NO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 305.27 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 305.03334884 g/mol |
| Monoisotopic Mass | 305.03334884 g/mol |
| Topological Polar Surface Area | 95.6 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 393 |
| 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 |