306730-10-9
Product Name:
4-(4-BROMOPHENYL)-2-(4-CHLOROPHENYLTHIO)-4-OXOBUTANOIC ACID
Formula:
C16H12BrClO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 399.7 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 397.93791 g/mol |
| Monoisotopic Mass | 397.93791 g/mol |
| Topological Polar Surface Area | 79.7 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 391 |
| 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 |