131758-17-3
Product Name:
2,2,2-TRICHLORO-1-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)ETHANONE
Formula:
C5H4Cl3N3O
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 228.46 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 226.941995 g/mol |
| Monoisotopic Mass | 226.941995 g/mol |
| Topological Polar Surface Area | 47.8 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 193 |
| 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 |