IUPAC Name :[3-[[(4-chlorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate
InChI :InChI=1/C18H20ClNO5S/c1-24-11-10-20(18(21)15-6-8-16(19)9-7-15)13-14-4-3-5-17(12-14)25-26(2,22)23/h3-9,12H,10-11,13H2,1-2H3
Std.InChI: InChI=1S/C18H20ClNO5S/c1-24-11-10-20(18(21)15-6-8-16(19)9-7-15)13-14-4-3-5-17(12-14)25-26(2,22)23/h3-9,12H,10-11,13H2,1-2H3
InChIKey :PPBFOAXFZHLGER-UHFFFAOYAJ
Std.InChIKey: PPBFOAXFZHLGER-UHFFFAOYSA-N
SMILES :COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)C2=CC=C(C=C2)Cl
Molar Refractivity :100.36 ± 0.4 cm3 (est)
Parachor :805.0 ± 4.0 cm3 (est)
Index of Refraction :1.579 ± 0.02
(est)
Surface Tension :50.6 ± 3.0 dyne/cm (est)
Density :1.318 ± 0.06 g/cm3 (est)
Polarizability :39.78 ± 0.5 10-24cm3 (est)