1-(2-chloro-5-sulfonophenyl)-3-methyl-5-pyrazolinone

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:88-76-6

mdl number:mfcd00020745

einecs number:201-858-0

rtecs number:none

brn number:none

pubchem number:24879588

physical property data

none

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 66.41

2. molar volume (cm³/mol): 175.4

3. isotonic specific volume (90.2k ): 498.5

4. surface tension (dyne/cm): 65.2

5. polarizability (10-24cm3): 26.32

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.6

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 5

4. number of rotatable chemical bonds: 2

5. number of tautomers: 3

6. topological molecule polar surface area 95.4

7. number of heavy atoms: 18

8. surface charge: 0

9. complexity: 485

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