318239-50-8
Product Name:
2-(4-CHLOROPHENYL)-4-[1-METHYL-5-(2,2,2-TRICHLOROACETYL)-1H-PYRROL-3-YL]-1,3-THIAZOL-3-IUM BROMIDE
Formula:
C16H11BrCl4N2OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 501.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 499.85001 g/mol |
| Monoisotopic Mass | 497.85296 g/mol |
| Topological Polar Surface Area | 63.1 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 468 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |