251307-21-8
Product Name:
1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-1H-1,2,4-TRIAZOL-3-YL 3-NITRO-2-PYRIDINYL SULFIDE
Formula:
C13H6ClF3N6O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 402.74 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 3 |
| Exact Mass | 401.9913568 g/mol |
| Monoisotopic Mass | 401.9913568 g/mol |
| Topological Polar Surface Area | 128 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 513 |
| 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 |