1020238-31-6
Product Name:
JR-6895, 3-(1-(4-Bromophenyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl)propanoic acid, 97%
Formula:
C18H14BrFN2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 389.2 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 388.02227 g/mol |
| Monoisotopic Mass | 388.02227 g/mol |
| Topological Polar Surface Area | 55.1 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 423 |
| 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 |