cis-[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl-4-methylbenzenesulphonate

Chemical Properties

Melting point	120-122°C
Boiling point	665.7±55.0 °C(Predicted)
Density	1.44±0.1 g/cm3(Predicted)
storage temp.	Inert atmosphere,Room Temperature
solubility	DMSO (Slightly), Methanol (Slightly)
pka	6.88±0.12(Predicted)
form	Solid
color	White to Off-White
InChI	InChI=1/C21H20Cl2N2O5S/c1-15-2-5-18(6-3-15)31(26,27)29-12-17-11-28-21(30-17,13-25-9-8-24-14-25)19-7-4-16(22)10-20(19)23/h2-10,14,17H,11-13H2,1H3/t17-,21-/s3
InChIKey	WAXNIYHZFWRPGS-NTMXNBFVNA-N
SMILES	[C@@]1(OC[C@@H](COS(=O)(=O)C2C=CC(C)=CC=2)O1)(CN1C=NC=C1)C1=CC=C(Cl)C=C1Cl \|&1:0,3,r\|
CAS DataBase Reference	134071-44-6(CAS DataBase Reference)

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