854019-67-3
Product Name:
ETHYL 1-(3,4-DICHLOROPHENYL)-5-(TRICHLOROMETHYL)-1H-1,2,4-TRIAZOLE-3-CARBOXYLATE
Formula:
C12H8Cl5N3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 403.5 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 402.902965 g/mol |
| Monoisotopic Mass | 400.905915 g/mol |
| Topological Polar Surface Area | 57 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 409 |
| 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 |