128537-55-3
Product Name:
4-Bromo-1-(1,1-dimethylethyl)-3-methyl-1H-pyrazole-5-carboxylic acid ethyl ester
Formula:
C11H17BrN2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 289.17 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 288.04734 g/mol |
| Monoisotopic Mass | 288.04734 g/mol |
| Topological Polar Surface Area | 44.1 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 265 |
| 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 |