4-甲基-3-(4,4,5,5-四甲基-[1,3,2]二氧硼杂环戊烷-2-基)苯甲酸 | 515131-35-8
4-甲基-3-(4,4,5,5-四甲基-[1,3,2]二氧硼杂环戊烷-2-基)苯甲酸
5-Carboxy-2-methylphenylboronic acid, pinacol ester
515131-35-8
C14H19BO4
262.1093
名称和标识符
MDL |
MFCD09261433 |
InChIKey |
SUZCHODXFJYVKA-UHFFFAOYSA-N |
Inchi |
1S/C14H19BO4/c1-9-6-7-10(12(16)17)8-11(9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17) |
SMILES |
O1B(C2C([H])=C(C(=O)O[H])C([H])=C([H])C=2C([H])([H])[H])OC(C([H])([H])[H])(C([H])([H])[H])C1(C([H])([H])[H])C([H])([H])[H] |
别名信息
- 中文别名 -
- 4-甲基-3-(4,4,5,5-四甲基-[1,3,2]二噁硼烷-2-基)苯甲酸
- 4-甲基-3-(4,4,5,5-四甲基-[1,3,2]二氧硼杂环戊烷-2-基)苯甲酸
- 英文别名 -
- 4-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid
- 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
- Benzoic acid, 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- 5-Carboxy-2-Methylphenylboronic acid, pinacol ester
- 4-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
- SUZCHODXFJYVKA-UHFFFAOYSA-N
- BCP24697
- SBB102510
- RP29336
- MFCD09261433
- 5-CARBOXY-2-METHYLPHENYLBORONIC ACID, PINACOL ESTER
- SCHEMBL397041
- 4-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid
- 3-BORONO-4-METHYLBENZOIC ACID PINACOL ESTER
- 515131-35-8
- A22684
- 4-methyl-3-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzoic acid
- 4-Methyl-3-(4 pound not4 pound not5 pound not5-tetramethyl-[1 pound not3 pound not2]dioxaborolan-2-yl)benzoic acid
- EN300-378264
- 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) benzoic acid
- 4-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoicacid
- AKOS015842276
- 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxa borolan-2-yl)benzoic acid
- 5-Carboxy-2-methylphenylboronic Acid Pinacol Ester
- SY104298
- DTXSID20582075
- Z1258926870
- 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxa borolan-2-yl) benzoic acid
- FT-0678645
- DS-10595
- J-515731
- (5-Carboxy-2-methyl)phenyl-4-boronic acid pinacol ester
- 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan -2-yl)benzoic acid
- CS-W006046
- AM20050325
物化性质
实验特性
LogP |
1.99240 |
PSA |
55.76000 |
计算特性
精确分子量 |
262.13800 |
氢键供体数量 |
1 |
氢键受体数量 |
4 |
可旋转化学键数量 |
2 |
同位素质量 |
262.1376392g/mol |
重原子数量 |
19 |
复杂度 |
351 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
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%
|