618383-03-2
Product Name:
1-(4-Bromophenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-7-yl)-1H-pyrazole-5-carboxylic acid
Formula:
C18H13BrN2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 401.2 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 400.00587 g/mol |
| Monoisotopic Mass | 400.00587 g/mol |
| Topological Polar Surface Area | 73.6 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 486 |
| 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 |