488823-64-9
Product Name:
3,5-bis(4-bromophenyl)-2-methylsulfonyl-3,4-dihydropyrazole
Formula:
C16H14Br2N2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 458.2 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 457.91222 g/mol |
| Monoisotopic Mass | 455.91427 g/mol |
| Topological Polar Surface Area | 58.1 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 545 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |