基本情報
- 標準SMILES
CC1(C)OC(=O)Nc2ccc(B(O)O)cc21- InChIKey
QHWLPZYUNQBUGQ-UHFFFAOYSA-N- 分子式
- C10H12BNO4
- 平均分子量
- 221.02 g/mol
- 単同位体質量
- 221.08593826
名称と識別子
- 優先名称
- (4,4-Dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)boronic acid
- IUPAC
- (4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)boronic acid
- 英語名
- Boronic acid, (1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)- (9CI)
- 分子式
- C10H12BNO4
- 分子量
- 221.02
名称と別名
304853-90-5(4,4-Dimethyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-yl)boronic acid(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)boronic acid(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)boronic acid(4,4-dimethyl-2-oxo-2,4-dihydro-1H-3,1-benzoxazin-6-yl)boronic acidstarbld0018458SCHEMBL1743997DTXSID20450922QHWLPZYUNQBUGQ-UHFFFAOYSA-N4,4-Dimethyl-2-oxo-2,4-dihydro-1H-benzo [d][1,3]oxazin-6-ylboronic acid4,4-dimethyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-ylboronic acid(1, 4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid
名称をさらに表示
Boronic acid, B-(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)-Boronic acid, (1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)- (9CI)
(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1 -benzoxazin-6-yl) boronic acid(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1 -benzoxazin-6-yl)boronic acid(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzooxazin-6-yl)boronic acid(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl) boronic acid(1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid(1,4-dihydro4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid(1.4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid(4,4-dimethyl-1,4-dihydro-2-oxo-2H-3,1 -benzoxazin-6-yl)boronic acid
データベース識別子
- CAS
304853-90-5- PubChem CID
- 10987806
- DTXSID
DTXSID20450922- Nikkaji
- J2.877.074J
物性
構造計算による物性
- 極性表面積
- 78.8 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 4
- 回転可能結合数
- 1
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 295
化学と産業
サプライヤー2 社
吉林中科研伸科技有限公司18143011203 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
関連反応
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関連ノート
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