3-NITRO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID

CAS号
1218791-11-7
CCD编号
CCD01673267
分子式
C13 H16 B N O6
分子量
293.081

基本信息

产品名称: 3-NITRO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
CAS: 1218791-11-7
英文同义词: 4-CARBOXY-2-NITROPHENYLBORONIC ACID, PINACOL ESTER ; BENZOIC ACID, 3-NITRO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)- ; 3-NITRO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
MDL号: MFCD12546615
氢键受体数量: 7
氢键供体数量: 1
Smile: B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2[N+](=O)[O-])C(=O)O
InChi: InChI=1S/C13H16BNO6/c1-12(2)13(3,4)21-14(20-12)9-6-5-8(11(16)17)7-10(9)15(18)19/h5-7H,1-4H3,(H,16,17)
InChiKey: InChIKey=PKZUOPKSOXRIRN-UHFFFAOYSA-N

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