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