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