2,5-di-n-butoxynitrobenzene

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:135-15-9

mdl number:none

einecs number:205-180-6

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：73.95

2、 molar volume（m ³/mol):248.3

3、 isotonic specific volume（90.2k）：614.8

4、 surface tension（3.0 dyne/cm span>):37.5

5、 polarizability（ 0.5 10^-24cm³): 29.31

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 8

5. number of tautomers: none

6. topological molecule polar surface area 64.3

7. number of heavy atoms: 19

8. surface charge: 0

9. complexity: 254

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

>29.31

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 8

5. number of tautomers: none

6. topological molecule polar surface area 64.3

7. number of heavy atoms: 19

8. surface charge: 0

9. complexity: 254

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