338394-13-1
Product Name:
4-(4-METHYLPHENYL)-3-(NITROMETHYL)-5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOLE
Formula:
C11H9F3N4O2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 286.21 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 286.06776003 g/mol |
| Monoisotopic Mass | 286.06776003 g/mol |
| Topological Polar Surface Area | 76.5 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 353 |
| 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 |