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
