131792-97-7
Product Name:
Butanoic acid, 2-bromo-, 2-cyanoethyl ester (9CI)
Formula:
C7H10BrNO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 220.06 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 218.98949 g/mol |
| Monoisotopic Mass | 218.98949 g/mol |
| Topological Polar Surface Area | 50.1 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 173 |
| 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 |