4-甲基-3-(4,4,5,5-四甲基-1,3,2-二氧硼烷)-苯甲腈 | 863868-32-0
4-甲基-3-(4,4,5,5-四甲基-1,3,2-二氧硼烷)-苯甲腈
4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
863868-32-0
C14H18BNO2
243.109223842621
名称和标识符
MDL |
MFCD11617918 |
InChIKey |
GAEPDTKCKFRFPX-UHFFFAOYSA-N |
Inchi |
1S/C14H18BNO2/c1-10-6-7-11(9-16)8-12(10)15-17-13(2,3)14(4,5)18-15/h6-8H,1-5H3 |
SMILES |
N#CC1C=C(B2OC(C)(C)C(C)(C)O2)C(C)=CC=1 |
别名信息
- 中文别名 -
- 4-甲基-3-(4,4,5,5-四甲基-1,3,2-二氧硼烷)-苯甲腈
- 英文别名 -
- 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- 2-Methyl-5-cyanophenylboronic acid pinacol ester
- Benzonitrile, 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)-
- B-4655
- 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (ACI)
物化性质
实验特性
LogP |
2.16588 |
PSA |
42.25000 |
计算特性
精确分子量 |
243.14300 |
氢键供体数量 |
0 |
氢键受体数量 |
3 |
可旋转化学键数量 |
1 |
重原子数量 |
18 |
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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