1423699-80-2
Product Name:
Benzenepropanoic acid, 4-bromo-α-[1-(methylamino)ethylidene]-β-oxo-, methyl ester
Formula:
C13H14BrNO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 312.16 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 311.01571 g/mol |
| Monoisotopic Mass | 311.01571 g/mol |
| Topological Polar Surface Area | 58.9 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 368 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |