B(C1=CC=CC=C1C2=NNN=N2)(O)O
CAS: 155884-01-8
名称: [2-(2H-tetrazol-5-yl)phenyl]boronic acid
SMILES: B(C1=CC=CC=C1C2=NNN=N2)(O)O

分子加工

分子式
C7H7BN4O2
分子量
189.97
精确质量
190.0662
XLogP
-1.45
TPSA
94.92
氢键给体数
3
氢键受体数
5
可旋转键
2
重原子数
14
环数
2
芳香环
2
饱和环
0
脂环
0
立体中心
0
未定义立体
0
形式电荷
0
杂原子数
7
共价单元
1
sp3占比
0
摩尔折射率
49.44

补充信息

InChIKey: GVRXWYFECKHTSJ-UHFFFAOYSA-N
同义词
2-(Tetrazol-5-yl)phenylboronic acidRefChem:462367686-953-9155884-01-8(2-(1H-Tetrazol-5-yl)phenyl)boronic acid2-(5-Tetrazolyl)phenylboronic acid2-(2H-tetrazol-5-yl)-phenylboronic acid[2-(2H-tetrazol-5-yl)phenyl]boronic Acid2-(1H-Tetrazol-5-yl)phenylboronic acid2-(2H-Tetrazol-5-yl)phenylboronic acidBoronic acid, B-[2-(2H-tetrazol-5-yl)phenyl]-MFCD06796325[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]boronic acid(2-(2H-tetrazol-5-yl)phenyl)boronic acidBoronic acid, [2-(1H-tetrazol-5-yl)phenyl]-2-(5-Tetrazolyl)phenylboronicAcid2-tetrazolylphenylboronic acidSCHEMBL498018SCHEMBL2444997SCHEMBL29465615SCHEMBL29953742DTXSID70457562GVRXWYFECKHTSJ-UHFFFAOYSA-NAKOS006281424AKOS015854409AB07953CS-W0008772-(1H-tetrazole-5-yl)phenylboronic acidDS-18268SY026022
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