3-(N-氯丙氨基羰基)苯硼酸频那醇酯 | 914397-31-2
3-(N-氯丙氨基羰基)苯硼酸频那醇酯
3-(Cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester
914397-31-2
C16H22BNO3
287.16178
名称和标识符
MDL |
MFCD06795659 |
InChIKey |
HKYJPDOXJIFTTQ-UHFFFAOYSA-N |
Inchi |
InChI=1S/C16H22BNO3/c1-15(2)16(3,4)21-17(20-15)12-7-5-6-11(10-12)14(19)18-13-8-9-13/h5-7,10,13H,8-9H2,1-4H3,(H,18,19) |
SMILES |
CC1(C(C)(OB(O1)C2=CC=CC(C(NC3CC3)=O)=C2)C)C |
别名信息
- 英文别名 -
- N-Cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
- 3-(Cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester
- 3-(N-Cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester
- DTXSID60592133
- DTXSID60592133
- DTXSID60592133
- AM87422
- AM87422
- AM87422
- AS-2754
- AS-2754
- AS-2754
- AKOS015960116
- AKOS015960116
- AKOS015960116
- 3-(N-CYCLOPROPYLAMINOCARBONYL)PHENYLBORONIC ACID, PINACOL ESTER
- 3-(N-CYCLOPROPYLAMINOCARBONYL)PHENYLBORONIC ACID, PINACOL ESTER
- 3-(N-CYCLOPROPYLAMINOCARBONYL)PHENYLBORONIC ACID, PINACOL ESTER
- I12168
- I12168
- I12168
- A860387
- A860387
- A860387
- 4-Phenylazophenacylbromide
- 4-Phenylazophenacylbromide
- 4-Phenylazophenacylbromide
- SCHEMBL1232115
- SCHEMBL1232115
- SCHEMBL1232115
- AB29193
- AB29193
- AB29193
- 914397-31-2
- 914397-31-2
- 914397-31-2
- N-Cyclopropyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide
- N-Cyclopropyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide
- N-Cyclopropyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide
- MFCD06795659
- MFCD06795659
- MFCD06795659
- CS-0175475
- CS-0175475
- CS-0175475
- HKYJPDOXJIFTTQ-UHFFFAOYSA-N
- HKYJPDOXJIFTTQ-UHFFFAOYSA-N
- 3-(N-cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester, AldrichCPR
- HKYJPDOXJIFTTQ-UHFFFAOYSA-N
- 3-(N-cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester, AldrichCPR
- 3-(N-cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester, AldrichCPR
物化性质
实验特性
LogP |
2.26890 |
PSA |
47.56000 |
折射率 |
1.533 |
沸点 |
440.8°C at 760 mmHg |
闪点 |
220.4°C |
密度 |
1.11 |
计算特性
精确分子量 |
287.16900 |
氢键供体数量 |
1 |
氢键受体数量 |
4 |
可旋转化学键数量 |
4 |
同位素质量 |
287.1692737g/mol |
重原子数量 |
21 |
复杂度 |
404 |
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 |
47.6Ų |
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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