2,4-dichloro-3,5-dimethylphenol
structural formula
| business number | 03p4 |
|---|---|
| molecular formula | c8h8cl2o |
| molecular weight | 191.06 |
| label |
dichloroxylenol, dichloro-m-xylenol, 2,4-dichloro-1,3-xylenol, aromatic compounds |
numbering system
cas number:133-53-9
mdl number:mfcd00019981
einecs number:205-109-9
rtecs number:2209273
brn number:none
pubchem id:none
physical property data
none yet
toxicological data
none yet
ecological data
none yet
molecular structure data
5. molecular property data:
1、 molar refractive index：47.57
2, molar volume（m3/mol):144.3
3, isotonic specific volume（90.2k）：369.3
4, surface tension（3.0 dyne/cm span>): 42.8
5, polarizability（ 0.5 10-24cm3): 18.85
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 3.6
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 1
4. number of rotatable chemical bonds: 0
5. number of tautomers: 9
6. topological molecule polar surface area 20.2
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 140
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 yet
storage method
none yet
synthesis method
none yet
purpose
none yet
; mso-font-kerning: 0pt; mso-fareast-font-family: arial”>):18.85
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 3.6
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 1
4. number of rotatable chemical bonds: 0
5. number of tautomers: 9
6. topological molecule polar surface area 20.2
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 140
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 yet
storage method
none yet
synthesis method
none yet
purpose
none yet
