2099706-09-7
Product Name:
methyl 4-bromo-3-hydroxy-1H-pyrrole-2-carboxylate
Formula:
C6H6BrNO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 220.02 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 218.95311 g/mol |
| Monoisotopic Mass | 218.95311 g/mol |
| Topological Polar Surface Area | 62.3 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 164 |
| 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 |