72275-96-8
Product Name:
4(5or6)-bromo-9-chloro-2-(3-chloro-10-oxo-9(10H)-anthrylidene)anthra[1,9-bc]thiopyran-7(2H)-one
Formula:
C30H13BrCl2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 604.3 g/mol |
|---|---|
| XLogP3 | 7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 601.91458 g/mol |
| Monoisotopic Mass | 601.91458 g/mol |
| Topological Polar Surface Area | 70.4 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 1100 |
| 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 |