4,6-dichlororesorcinol

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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