二氯苯基咪唑并恶唑烷 dichlorophenyl imidazoldioxolan
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iupac名称 IUPAC Name :ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate
INCHI InChI :INCHI InChI=1/C27H30cl Cl2N4O5/c1-2-35-26(34)33-13-11-32(12-14-33)21-4-6-22(7-5-21)36-16-23-17-37-27(38-23,18-31-10-9-30-19-31)24-8-3-20(28)15-25(24)29/h3-10,15,19,23H,2,11-14,16-18H2,1H3/t23-,27-/m0/s1
印地 Std.InChI: INCHI InChI=1S/C27H30cl Cl2N4O5/c1-2-35-26(34)33-13-11-32(12-14-33)21-4-6-22(7-5-21)36-16-23-17-37-27(38-23,18-31-10-9-30-19-31)24-8-3-20(28)15-25(24)29/h3-10,15,19,23H,2,11-14,16-18H2,1H3/t23-,27-/m0/s1
INCHI基 InChIKey :VEVFSWCSRVJBSM-HOFKKMOUBZ
标准奇奇 Std.InChIKey: VEVFSWCSRVJBSM-HOFKKMOUSA-N
微笑 SMILES :ccoc CCOC(= o =O)N1CCN(CC1)C2=Cc = c C=C(c = c C=C2)OC[c @ h C@H]3CO[C@](O3)(CN4c = c C=CN=C4)C5=C(c = c C=C(c = c C=C5)cl Cl)cl Cl
磨牙 Molar 折射率 Refractivity :145.11 ± 0.5 cm3 (估 est)
Parachor :1092.3 ± 8.0 cm3 (估 est)
折射率 Index of Refraction :1.630 ± 0.05
(估 est)
表面张力 Surface Tension :51.6 ± 7.0 dyne/cm (估 est)
密度 Density :1.37 ± 0.1 g/cm3 (估 est)
极化率 Polarizability :57.52 ± 0.5 10-24cm3 (估 est)