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