4-Chlorophenoxyacetic acid 4-Chlorophenoxyacetic acid
Structural formula
| Business number | 03FQ |
|---|---|
| Molecular formula | C8H7ClO3 |
| Molecular weight | 186 |
| label |
Anti-falling agent, tomato spirit, fruit setting spirit, Plant Growth Regulator |
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