371954-95-9
Product Name:
4,4,4-trichloro-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)butan-1-one
Formula:
C12H9Cl3N4O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 363.6 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 361.974023 g/mol |
| Monoisotopic Mass | 361.974023 g/mol |
| Topological Polar Surface Area | 93.6 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 419 |
| 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 |