852700-50-6
Product Name:
METHYL 2-[(4-FORMYL-1,3-DIMETHYL-1H-PYRAZOL-5-YL)SULFANYL]BENZENECARBOXYLATE
Formula:
C14H14N2O3S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 290.34 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 290.07251349 g/mol |
| Monoisotopic Mass | 290.07251349 g/mol |
| Topological Polar Surface Area | 86.5 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 366 |
| 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 |