1020238-28-1
Product Name:
JR-6891, 3-(3-(4-Bromophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl)propanoic acid, 97%
Formula:
C19H17BrN2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 401.3 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 400.04225 g/mol |
| Monoisotopic Mass | 400.04225 g/mol |
| Topological Polar Surface Area | 64.4 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 434 |
| 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 |