Cas no 881913-23-1 (3-(isoquinolin-1-yl)phenylboronic acid)
881913-23-1 structure
Product Name:3-(isoquinolin-1-yl)phenylboronic acid
CAS No:881913-23-1
MF:C15H12BNO2
MW:249.072283744812
CID:2122709
PubChem ID:59512831
Update Time:2025-04-21
3-(isoquinolin-1-yl)phenylboronic acid Chemical and Physical Properties
Names and Identifiers
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- 3-(isoquinolin-1-yl)phenylboronic acid
- SCHEMBL13103913
- 881913-23-1
- DA-01669
- (3-(Isoquinolin-1-yl)phenyl)boronic acid
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- Inchi： 1S/C15H12BNO2/c18-16(19)13-6-3-5-12(10-13)15-14-7-2-1-4-11(14)8-9-17-15/h1-10,18-19H
- InChI Key： SDOQOIIRTBPTCG-UHFFFAOYSA-N
- SMILES： OB(C1=CC=CC(=C1)C1C2C=CC=CC=2C=CN=1)O
Computed Properties
- Exact Mass: 249.0961088Da
- Monoisotopic Mass: 249.0961088Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 300
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 53.4?2
3-(isoquinolin-1-yl)phenylboronic acid Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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