318234-26-3
Product Name:
5-Chloro-1-methyl-3-[(phenylsulfanyl)methyl]-1H-pyrazole-4-carbaldehyde
Formula:
C12H11ClN2OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 266.75 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 266.0280618 g/mol |
| Monoisotopic Mass | 266.0280618 g/mol |
| Topological Polar Surface Area | 60.2 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 261 |
| 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 |