514800-69-2
Product Name:
4-(4-NITRO-PYRAZOL-1-YLMETHYL)-BENZOIC ACID METHYL ESTER
Formula:
C12H11N3O4
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 7.1 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 261.23 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 261.07495584 g/mol |
| Monoisotopic Mass | 261.07495584 g/mol |
| Topological Polar Surface Area | 89.9 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 336 |
| 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 |