338402-50-9
Product Name:
N-(2-[4-METHYL-5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL]-2-NITROVINYL)-N-PHENYLAMINE
Formula:
C12H10F3N5O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 313.24 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 313.07865906 g/mol |
| Monoisotopic Mass | 313.07865906 g/mol |
| Topological Polar Surface Area | 88.6 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 432 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |