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