618102-64-0
Product Name:
3-(4-BROMOPHENYL)-1-(3-CHLORO-4-FLUOROPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
Formula:
C16H9BrClFN2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 395.61 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 393.95200 g/mol |
| Monoisotopic Mass | 393.95200 g/mol |
| Topological Polar Surface Area | 55.1 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 436 |
| 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 |