2. Computational chemical data
- Molecular Weight: 527.5796496g/mol
- Molecular Formula: C12H15BrFN
- Compound Is Canonicalized: True
- XLogP3-AA:
- Exact Mass: 527.27193913
- Monoisotopic Mass: 527.27193913
- Complexity: 581
- Rotatable Bond Count: 10
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 12
- Topological Polar Surface Area: 100
- Heavy Atom Count: 37
- 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
3. Recommended Suppliers