5. Computational chemical data
- Molecular Weight:498.432g/mol
- Molecular Formula:C8H8BrClO
- Compound Is Canonicalized:True
- XLogP3-AA:
- Exact Mass:497.8948275
- Monoisotopic Mass:497.8948275
- Complexity:211
- Rotatable Bond Count:4
- Hydrogen Bond Donor Count:2
- Hydrogen Bond Acceptor Count:14
- Topological Polar Surface Area:281
- Heavy Atom Count:29
- Defined Atom Stereocenter Count:0
- Undefined Atom Stereocenter Count:0
- Defined Bond Stereocenter Count:0
- Undefined Bond Stereocenter Count:0
- Isotope Atom Count:0
- Covalently-Bonded Unit Count:5
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