491831-81-3
Product Name:
3-NITRO-1-(4-METHYLBENZYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
Formula:
C12H11N3O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 261.23 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 261.07495584 g/mol |
| Monoisotopic Mass | 261.07495584 g/mol |
| Topological Polar Surface Area | 101 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 349 |
| 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 |