IUPAC Name :[(R)-cyano-(3-phenoxyphenyl)methyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
InChI :InChI=1/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m0/s1
Std.InChI: InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m0/s1
InChIKey :NYPJDWWKZLNGGM-BJKOFHAPBE
Std.InChIKey: NYPJDWWKZLNGGM-BJKOFHAPSA-N
SMILES :CC(C)[C@H](C1=CC=C(C=C1)Cl)C(=O)O[C@@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
MDL: MFCD00203302
Molar Refractivity :116.44 ± 0.3 cm3 (est)
Parachor :909.6 ± 4.0 cm3 (est)
Index of Refraction :1.586 ± 0.02
(est)
Surface Tension :47.3 ± 3.0 dyne/cm (est)
Density :1.210 ± 0.06 g/cm3 (est)
Polarizability :46.16 ± 0.5 10-24cm3 (est)