94856-92-5
Product Name:
1-(4-bromobenzoyl)piperazine-2,3-dicarboxylic acid
Formula:
C13H13BrN2O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 357.16 g/mol |
|---|---|
| XLogP3 | -1.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 356.00078 g/mol |
| Monoisotopic Mass | 356.00078 g/mol |
| Topological Polar Surface Area | 107 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 436 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |