Structural formula
| Business number | 0202 |
|---|---|
| Molecular formula | C10H9ClN2O4S |
| Molecular weight | 288.71 |
| label |
4-Chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-benzenesulfonic acid, 3-Methyl-1-(2′-chloro-5′-phenylsulfonate)-5-pyrazolinone, 1-(2-Chloro-5-sulfophenyl)-3-methyl-2-pyrazolin-5-one, 3-Methyl-1-(2-chloro-5-sulfophenyl)-5-pyrazolone |
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
