477710-91-1
Product Name:
1H-Pyrazole, 1,3-dimethyl-4-(2-nitroethenyl)-5-phenoxy-
Formula:
C13H13N3O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 259.26 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 259.09569129 g/mol |
| Monoisotopic Mass | 259.09569129 g/mol |
| Topological Polar Surface Area | 72.9 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 337 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |