Structural formula
| Business number | 03RE |
|---|---|
| Molecular formula | C6H4Cl2O2 |
| Molecular weight | 179.00 |
| label |
4,6-Dichlororesorcinol, 3,4-Dichlororesorcinol, aromatic compounds |
Numbering system
CAS number:137-19-9
MDL number:MFCD00002274
EINECS number:205-284-1
RTECS number:None
BRN number:None
PubChem number:24847986
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
Molecular property data: 1、 Molar refractive index：39.80 2、 Molar volume（m3/mol):110.1 3、 Isotonic specific volume（90.2K）：309.0 4、 Surface tension(3.0 dyne/cm) ：61.8 5、 Polarizability（0.5 10-24cm3):15.78
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: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 5
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 108
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
lue=”24″ hasspace=”False” negative=”True” numbertype=”1″ tcsc=”0″ w:st=”on”>-24cm3):15.78
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: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 5
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 108
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
