1257230-31-1
Product Name:
Benzenepropanenitrile, 2-bromo-5-chloro-β-oxo-
Formula:
C9H5BrClNO
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COMPUTED DESCRIPTORS
| Molecular Weight | 258.50 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 256.92430 g/mol |
| Monoisotopic Mass | 256.92430 g/mol |
| Topological Polar Surface Area | 40.9 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 247 |
| 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 |