2006277-63-8
Product Name:
Ethyl 3-[(4-Bromophenyl)(hydroxy)methyl]isoxazole-4-carboxylate
Formula:
C13H12BrNO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 326.14 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 324.99497 g/mol |
| Monoisotopic Mass | 324.99497 g/mol |
| Topological Polar Surface Area | 72.6 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 307 |
| 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 |