2,4,6-trichlorophenoxyacetic acid

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:575-89-3

mdl number:none

einecs number:209-394-0

rtecs number:aj8405000

brn number:none

pubchem id:none

physical property data

1. physical property data

1. melting point (ºc): 185

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 53.81

2. molar volume (m³/mol）：160.4

3. isotonic specific volume (90.2k):433.1

4. surface tension (dyne/cm):53.1

5. polarizability（10^-24cm³):21.33

compute chemical data

4. calculated chemical data:

1. hydrophobic parameter calculation reference value (xlogp) ：3.6

2. hydrogen bonding number of donors: 1

3. hydrogen bonding number of receptors: 3

4. rotatable number of chemical bonds: 3

5. topological molecules polar surface area (tpsa）：46.5

6. heavy atoms quantity: 14

7. surface charge ：0

8. complexity:200

9. isotope atomic number:0

10. determine the number of atomic stereocenters:0

11. uncertain number of atomic stereocenters:0

12. determine the number of stereocenters of chemical bonds:0

13. uncertain number of chemical bond stereocenters:0

14. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet

resource:allhdi.com