5′-chloro-3-hydroxy-2′-methyl-2-naphthoanilide

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:135-63-7

mdl number:mfcd00021636

einecs number:205-207-1

rtecs number:none

brn number:none

pubchem id:none

physical property data

none

toxicological data

none

ecological data

none

molecular structure data

molecular property data:

1、 molar refractive index：90.27

2, molar volume（m³/mol):229.0

3, isotonic specific volume（90.2k）：639.2

4, surface tension（3.0 dyne/cm span>): 60.6

5, polarizability（ 0.5 10^-24cm³): 35.78

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 5.2

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 2

5. number of tautomers: 9

6. topological molecule polar surface area 49.3

7. number of heavy atoms: 22

8. surface charge: 0

9. complexity: 403

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

mainly used to make organic pigments

v w:st=”on” tcsc=”0″ numbertype=”1″ negative=”true” hasspace=”false” sourcevalue=”24″ unitname=”cm”>^-24cm³): 35.78

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 5.2

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 2

5. number of tautomers: 9

6. topological molecule polar surface area 49.3

7. number of heavy atoms: 22

8. surface charge: 0

9. complexity: 403

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

mainly used to make organic pigments