15966-46-8
Product Name:
ETHYL 5-METHYL-1-(4-NITROPHENYL)-1H-1,2,4-TRIAZOLE-3-CARBOXYLATE
Formula:
C12H12N4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 276.25 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 276.08585488 g/mol |
| Monoisotopic Mass | 276.08585488 g/mol |
| Topological Polar Surface Area | 103 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 365 |
| 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 |