3,5-diiodosalicylic acid
Structural formula
| Business number | 03PA |
|---|---|
| Molecular formula | C7H4I2O3 |
| Molecular weight | 389.91 |
| label |
2-Hydroxy-3,5-diiodobenzoic acid, 3,5-diiodo-2-hydroxybenzoic acid, aromatic compounds |
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
