861209-82-7
Product Name:
DIMETHYL 2-[(2-CHLORO-1,3-THIAZOL-5-YL)METHYL]-2-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]MALONATE
Formula:
C16H12ClF3N2O6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 452.8 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 7 |
| Exact Mass | 452.0056695 g/mol |
| Monoisotopic Mass | 452.0056695 g/mol |
| Topological Polar Surface Area | 140 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 631 |
| 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 |