261510-86-5
Product Name:
5-TERT-BUTYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
Formula:
C14H13Cl3N2O2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 347.6 g/mol |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 346.004261 g/mol |
| Monoisotopic Mass | 346.004261 g/mol |
| Topological Polar Surface Area | 55.1 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 390 |
| 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 |