4,4-Dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoquinolin-1-one
基本情報
- CAS
1396777-60-8- 標準SMILES
CC1(C)CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc21- InChIKey
VPTCMQYFTOZYSE-UHFFFAOYSA-N- 分子式
- C17H24BNO3
- 平均分子量
- 301.2 g/mol
- 単同位体質量
- 301.1849238
名称と識別子
- 優先名称
- 4,4-Dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoquinolin-1-one
- IUPAC
- 4,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoquinolin-1-one
名称と別名
1396777-60-84,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoquinolin-1-one4,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-1(2H)-one1(2H)-Isoquinolinone, 3,4-dihydro-4,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-SCHEMBL12078315SCHEMBL30926385VPTCMQYFTOZYSE-UHFFFAOYSA-NDTXSID401116983MFCD34663208F896244,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinolin-1-one4,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoquinolin-1-one - [D82731]
データベース識別子
- CAS
1396777-60-8- PubChem CID
- 70655261
- DTXSID
DTXSID401116983
物性
構造計算による物性
- 極性表面積
- 47.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 1
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 459
関連反応
2 件
化合物ノート
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