HCID3854098

3-(N-Isopropylaminocarbonyl)benzeneboronic acid

[3-(propan-2-ylcarbamoyl)phenyl]boronic acid

C10H14BNO3207.04 g/molCAS 397843-69-5

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IDENTITY

结构与身份

标准 SMILES: CC(C)NC(=O)c1cccc(B(O)O)c1
InChIKey: QDCRYXCSQKAWNM-UHFFFAOYSA-N
分子式: C10H14BNO3
平均分子量: 207.04 g/mol
单同位素质量: 207.1066735

COMPUTED

结构计算性质

已同步

极性表面积: 69.6 Å²
氢键供体: 3
氢键受体: 3
可旋转键: 3
重原子: 15
形式电荷: 0
复杂度: 221

ALIASES

名称与别名

共 27 条

397843-69-53-(N-ISOPROPYLAMINOCARBONYL)BENZENEBORONIC ACID3-(isopropylcarbamoyl)phenylboronic acid3-(Isopropylcarbamoyl)benzeneboronic acid3-(N-Isopropylaminocarbonyl)phenylboronic acid[3-(propan-2-ylcarbamoyl)phenyl]boronic AcidMFCD04115690(3-(Isopropylcarbamoyl)phenyl)boronic acid[3-(N-Isopropylaminocarbonyl)phenyl]boronic acid[3-(isopropylcarbamoyl)phenyl]boronic acid{3-[(propan-2-yl)carbamoyl]phenyl}boronic acidSCHEMBL177725DTXSID50397371QDCRYXCSQKAWNM-UHFFFAOYSA-NAKOS005256310AB20404PS-96403-(isopropylcarbamoyl)phenyl boronic acidSY102499DB-010500

REACTIONS