2,6-二氟-4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)苯甲酸 | 1008119-07-0
2,6-二氟-4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)苯甲酸
2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
1008119-07-0
C13H15BF2O4
284.0636
名称和标识符
MDL |
MFCD16996277 |
InChIKey |
OGQFSRYMVQGPRZ-UHFFFAOYSA-N |
Inchi |
1S/C13H15BF2O4/c1-12(2)13(3,4)20-14(19-12)7-5-8(15)10(11(17)18)9(16)6-7/h5-6H,1-4H3,(H,17,18) |
SMILES |
FC1C(C(=O)O[H])=C(C([H])=C(B2OC(C([H])([H])[H])(C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])O2)C=1[H])F |
别名信息
- 中文别名 -
- 2,6-二氟-4-(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)苯甲酸
- 英文别名 -
- 2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
- 2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzoic acid
- BENZOIC ACID,2,6-DIFLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)
- 2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)
- BENZOIC ACID, 2,6-DIFLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
- C13H15BF2O4
- MB20378
- FCH2776369
- BC001588
- AX8217800
- ST2415932
- Y3511
- 3,5-Difluoro-4-carboxyphenylboronic a
物化性质
实验特性
LogP |
1.96220 |
PSA |
55.76000 |
计算特性
精确分子量 |
284.10300 |
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 |
20 |
复杂度 |
374 |
拓扑分子极性表面积 |
55.8 |
海关数据
海关编码 |
2934999090 |
海关数据 |
中国海关编码:
2934999090
概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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