5. Computational chemical data
- Molecular Weight:254.209g/mol
- Molecular Formula:C11H12ClNO3
- Compound Is Canonicalized:True
- XLogP3-AA:
- Exact Mass:254.00963845
- Monoisotopic Mass:254.00963845
- Complexity:316
- Rotatable Bond Count:2
- Hydrogen Bond Donor Count:5
- Hydrogen Bond Acceptor Count:8
- Topological Polar Surface Area:122
- Heavy Atom Count:16
- 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:3
7. Recommended Suppliers