128537-60-0
Product Name:
4-BROMO-1-(TERT-BUTYL)-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
Formula:
C9H13BrN2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 261.12 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 260.01604 g/mol |
| Monoisotopic Mass | 260.01604 g/mol |
| Topological Polar Surface Area | 55.1 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 240 |
| 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 |