3,5-diiodosalicylic 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:133-91-5

MDL number:MFCD00002444

EINECS number:205-124-0

RTECS number:VO2800000

BRN number:2615358

PubChem number:24893385

Physical property data

None

Toxicological data

Acute toxicity data :

Rat Sutra 口LDLo：500mg/kg

Mouse Sutra MouthLD50：450mg/kg

Ecological data

None

Molecular structure data

5. Molecular property data:

1、 Molar refractive index：60.87

2, Molar volume（m³/mol):144.5

3, Isotonic specific volume（90.2K）：435.6

4, Surface tension（3.0 dyne/cm SPAN>): 82.5

5, Polarizability（ 0.5 10^-24cm³): 24.13

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 4

6. Topological molecule polar surface area 57.5

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 186

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

Storage method

None

Synthesis method

None

Purpose

None

y: Arial”> Polarizability（0.5 10^-24cm³):24.13

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 4

6. Topological molecule polar surface area 57.5

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 186

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

Storage method

None

Synthesis method

None

Purpose

None