structural formula
| business number | 020g |
|---|---|
| molecular formula | c7h6clno3 |
| molecular weight | 187.58 |
| label |
4-chloro-1-methoxy2-nitrobenzene, p-chloro-o-nitroanisole, 4-chloro-1-methoxy-2-nitrobenzene |
numbering system
cas number:89-21-4
mdl number:mfcd00024327
einecs number:201-887-9
rtecs number:none
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: 0
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 55
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 171
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: 1
properties and stability
none
storage method
none
synthesis method
none
purpose
none
