71368-68-8
Product Name:
1-Bromo-8-chloro-6-(2-chlorophenyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benz odiazepine
Formula:
C16H9BrCl2N4
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COMPUTED DESCRIPTORS
| Molecular Weight | 408.1 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 405.93876 g/mol |
| Monoisotopic Mass | 405.93876 g/mol |
| Topological Polar Surface Area | 43.1 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 477 |
| 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 |