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