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
