structural formula
| business number | 03re |
|---|---|
| molecular formula | c6h4cl2o2 |
| molecular weight | 179.00 |
| label |
4,6-dichlororesorcinol, 3,4-dichlororesorcinol, aromatic compounds |
numbering system
cas number:137-19-9
mdl number:mfcd00002274
einecs number:205-284-1
rtecs number:none
brn number:none
pubchem number:24847986
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
molecular property data:
1、 molar refractive index：39.80
2、 molar volume（m3/mol):110.1
3、 isotonic specific volume（90.2k）：309.0
4、 surface tension(3.0 dyne/cm) ：61.8
5、 polarizability（0.5 10-24cm3):15.78
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 0
5. number of tautomers: 5
6. topological molecule polar surface area 40.5
7. number of heavy atoms: 10
8. surface charge: 0
9. complexity: 108
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
lue=”24″ hasspace=”false” negative=”true” numbertype=”1″ tcsc=”0″ w:st=”on”>-24cm3):15.78
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 0
5. number of tautomers: 5
6. topological molecule polar surface area 40.5
7. number of heavy atoms: 10
8. surface charge: 0
9. complexity: 108
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
