5. Computational chemical data
- Molecular Weight:233.3896g/mol
- Molecular Formula:C11H15BrN2O2
- Compound Is Canonicalized:True
- XLogP3-AA:
- Exact Mass:233.856977
- Monoisotopic Mass:233.856977
- Complexity:62.2
- Rotatable Bond Count:0
- Hydrogen Bond Donor Count:0
- Hydrogen Bond Acceptor Count:4
- Topological Polar Surface Area:88.6
- Heavy Atom Count:6
- 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:2
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