2092695-82-2
Product Name:
1H-Pyrrole-3-carboxylic acid, 5-bromo-4-fluoro-, methyl ester
Formula:
C6H5BrFNO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 222.01 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 220.94877 g/mol |
| Monoisotopic Mass | 220.94877 g/mol |
| Topological Polar Surface Area | 42.1 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 167 |
| 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 |