97821-63-1
Product Name:
4H-1,2,4-Triazole-4-ethanol, α-[2-(4-chlorophenyl)ethyl]-α-(1,1-dimethylethyl)-
Formula:
C16H22ClN3O
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 273.37 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 273.184112366 g/mol |
| Monoisotopic Mass | 273.184112366 g/mol |
| Topological Polar Surface Area | 50.9 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 297 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |