Cas no 680624-95-7 (Phenylboronic acid--4,4'-bipyridine (1/2))
680624-95-7 structure
Product Name:Phenylboronic acid--4,4'-bipyridine (1/2)
CAS No:680624-95-7
MF:C26H23BN4O2
MW:434.297425508499
CID:2798643
PubChem ID:71367552
Update Time:2025-04-21
Phenylboronic acid--4,4'-bipyridine (1/2) Chemical and Physical Properties
Names and Identifiers
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- Phenylboronic acid--4,4'-bipyridine (1/2)
- DTXSID70790668
- 680624-95-7
-
- Inchi： 1S/2C10H8N2.C6H7BO2/c2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;8-7(9)6-4-2-1-3-5-6/h2*1-8H;1-5,8-9H
- InChI Key： BVXDUCIKAMOQAI-UHFFFAOYSA-N
- SMILES： OB(C1C=CC=CC=1)O.N1C=CC(=CC=1)C1C=CN=CC=1.N1C=CC(=CC=1)C1C=CN=CC=1
Computed Properties
- Exact Mass: 434.1914062Da
- Monoisotopic Mass: 434.1914062Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 33
- Rotatable Bond Count: 3
- Complexity: 187
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 92?2
Phenylboronic acid--4,4'-bipyridine (1/2) Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
680624-95-7 (Phenylboronic acid--4,4'-bipyridine (1/2)) Related Products
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