402729-32-2
Product Name:
3-((3-NITRO-1H-PYRAZOL-1-YL)METHYL)BENZOIC ACID
Formula:
C11H9N3O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 247.21 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 247.05930578 g/mol |
| Monoisotopic Mass | 247.05930578 g/mol |
| Topological Polar Surface Area | 101 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 331 |
| 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 |