91498-92-9
Product Name:
Benzenepropanoic acid, 3,4-dichloro-β-cyano-α-oxo-, ethyl ester
Formula:
C12H9Cl2NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 286.11 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 284.9959485 g/mol |
| Monoisotopic Mass | 284.9959485 g/mol |
| Topological Polar Surface Area | 67.2 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 377 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |