| 英文别名 | 2-(3-Cyano-4-{[2-(~2~H_3_)methyl(2,3,3,3-~2~H_4_)propyl]oxy}phenyl)-4-methyl-1,3-thiazole-5-carboxylic acid: |
| CAS号 | 1285539-74-3 |
| SMILES | C([2H])([2H])([2H])C([2H])(C([2H])([2H])[2H])COC1=C(C=C(C=C1)C2=NC(=C(C(=O)O)S2)C)C#N
[2H]C([2H])([2H])C([2H])(COc1ccc(cc1C#N)c2nc(c(s2)C(=O)O)C)C([2H])([2H])[2H] |
| Inchi | InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)/i1D3,2D3,9D |
| InchiKey | BQSJTQLCZDPROO-SCENNGIESA-N |
| 分子式 Formula | C16H9D7N2O3S |
| 分子量 Molecular Weight | 323 |
| 闪点 FP | 278.3±32.9 ℃ |
| 沸点 Boiling point | 536.6±60.0 ℃ at 760 mmHg |
| Polarizability极化度 | 32.9±0.5 10-24cm3 |
| 密度 Density | 1.3±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±1.5 mmHg at 25℃ |
| 储藏条件 Storage conditions | storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years) |
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