herbicide

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:132-66-1

mdl number:mfcd00037725

einecs number:none

rtecs number:th7350000

brn number:2814102

pubchem number:24899188

physical property data

none yet

toxicological data

acute toxicity data:

rat orally ld50 ：8200mg/kg

rat inhalationlc50: >2070/m3

rabbit skinld50:>2mg/kg

ecological data

none yet

molecular structure data

5. molecular property data:

1、 molar refractive index：81.53

2, molar volume（m³/mol):209.6

3, isotonic specific volume（90.2k）：588.2

4, surface tension（3.0 dyne/cm span>): 61.9

5, polarizability（ 0.5 10^-24cm³): 32.32

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3.5

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 3

5. number of tautomers: 2

6. topological molecule polar surface area 66.4

7. number of heavy atoms: 22

8. surface charge: 0

9. complexity: 423

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

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compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3.5

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 3

5. number of tautomers: 2

6. topological molecule polar surface area 66.4

7. number of heavy atoms: 22

8. surface charge: 0

9. complexity: 423

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