2,4-dichloro-3,5-dimethylphenol

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:133-53-9

mdl number:mfcd00019981

einecs number:205-109-9

rtecs number:2209273

brn number:none

pubchem id:none

physical property data

none yet

toxicological data

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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