MDL | MFCD08543939 |
---|---|
InChIKey | DZICUHOFOOPVFM-UHFFFAOYSA-N |
Inchi | 1S/C9H8F3NO2/c1-15-8(14)6-3-2-5(4-7(6)13)9(10,11)12/h2-4H,13H2,1H3 |
SMILES | FC(C1C([H])=C([H])C(C(=O)OC([H])([H])[H])=C(C=1[H])N([H])[H])(F)F |
LogP | 2.65540 |
---|---|
PSA | 52.32000 |
精确分子量 | 219.05100 |
---|---|
氢键供体数量 | 1 |
氢键受体数量 | 6 |
可旋转化学键数量 | 2 |
重原子数量 | 15 |
复杂度 | 242 |
疏水参数计算参考值(XlogP) | 2.8 |
拓扑分子极性表面积 | 52.3 |
海关编码 | 2922499990 |
---|---|
海关数据 |
中国海关编码:2922499990概述:2922499990 其他氨基酸及其酯及它们的盐(含有一种以上含氧基的除外). 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 最惠国关税:6.5% 普通关税:30.0% 申报要素:品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装 监管条件:
A.入境货物通关单 检验检疫类别:
P.进境动植物、动植物产品检疫 Summary:HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0% |
SMILES
COC(=O)C1C(N)=CC(=CC=1)C(F)(F)F