2-(8-chloro-1-naphthylthio)acetic acid 2-(8-chloro-1-naphthylthio)acetic acid

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:129-94-2

mdl number:mfcd00043901

einecs number:204-971-3

rtecs number:none

brn number:none

pubchem id:none

physical property data

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toxicological data

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ecological data

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molecular structure data

5. molecular property data:

1. molar refractive index: 68.06

2. molar volume (m³/mol）：176.7

3. isotonic ratio (90.2k):500.3

4. surface tension (dyne/cm):64.2

5. polarizability（10^-24cm³):26.98

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp):3.7

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 2

5. number of tautomers:

6. topological molecular polar surface area (tpsa):37.3

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 272

10. number of isotope atoms: 0

4. number of rotatable chemical bonds: 2

5. number of tautomers:

6. topological molecular polar surface area (tpsa):37.3

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 272

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 1

12. the number of uncertain atomic stereocenters: 0

13. determine the number of stereocenters of chemical bonds: 0

14. uncertain number of chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

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synthesis method

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purpose

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list 54.0pt” align=left>11. determine the number of atomic stereocenters: 1

12. the number of uncertain atomic stereocenters: 0

13. determine the number of stereocenters of chemical bonds: 0

14. uncertain number of chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

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purpose

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