structural formula
| business number | 03z9 |
|---|---|
| molecular formula | c16h22cln3 |
| molecular weight | 291.82 |
| label |
none yet |
numbering system
cas number:154-69-8
mdl number:none
einecs number:205-833-5
rtecs number:us3150000
brn number:none
pubchem id:none
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
none
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 6
5. number of tautomers: none
6. topological molecule polar surface area 19.4
7. number of heavy atoms: 20
8. surface charge: 0
9. complexity: 236
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 2
properties and stability
none
storage method
none
synthesis method
none
purpose
none
