338394-03-9
Product Name:
4-(4-METHOXYPHENYL)-3-(NITROMETHYL)-5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOLE
Formula:
C11H9F3N4O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 302.21 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 302.06267465 g/mol |
| Monoisotopic Mass | 302.06267465 g/mol |
| Topological Polar Surface Area | 85.8 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 369 |
| 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 |