4-chlorophenoxyacetic acid 4-chlorophenoxyacetic 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:122-88-3

mdl number:mfcd00004305

einecs number:204-581-3

rtecs number:ag0175000

brn number:1211804

pubchem number:24892252

physical property data

none yet

toxicological data

1, acute toxicity: rat oral ld50: 850mg/kg

mouse transperitoneal cavity ld50: 680mg/kg

2human cellsdna synthesis test system: 100mmol/l

ecological data

none yet

molecular structure data

1, molar refractive index:44.02

2、 molar volume (m³/mol):136.5

3、 isotonic ratio (90.2k): 361.3

4、 surface tension (dyne/cm): 49.1

5、 polarizability (10^-24cm³):17.45

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 46.5

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 152

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet

roman; mso-fareast-font-family: arial; mso-font-kerning: 0pt”> polarizability (10^-24cm³):17.45

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 3

5. number of tautomers: none

6. topological molecule polar surface area 46.5

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 152

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet