937605-03-3
Product Name:
ETHYL 3-((4-BROMO-2-METHYL-5-OXO-1-PHENYL-3-PYRAZOLIN-3-YL)METHOXY)BENZOATE
Formula:
C20H19BrN2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 431.3 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 430.05282 g/mol |
| Monoisotopic Mass | 430.05282 g/mol |
| Topological Polar Surface Area | 59.1 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 589 |
| 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 |