Cas no 181867-59-4 (Benzonitrile, 4-(2-quinolinyl)-)
181867-59-4 structure
Product Name:Benzonitrile, 4-(2-quinolinyl)-
CAS No:181867-59-4
MF:C16H10N2
MW:230.264003276825
CID:1374187
PubChem ID:39231440
Update Time:2025-04-20
Benzonitrile, 4-(2-quinolinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-(2-quinolinyl)-
- 4-(QUINOLIN-2-YL)BENZONITRILE
- F81309
- 181867-59-4
- SCHEMBL26613594
-
- Inchi： 1S/C16H10N2/c17-11-12-5-7-14(8-6-12)16-10-9-13-3-1-2-4-15(13)18-16/h1-10H
- InChI Key： CTKUXIAEKILJGQ-UHFFFAOYSA-N
- SMILES： N1C2C=CC=CC=2C=CC=1C1C=CC(C#N)=CC=1
Computed Properties
- Exact Mass: 230.0845
- Monoisotopic Mass: 230.084398327g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 321
- 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
- XLogP3: 3.6
- Topological Polar Surface Area: 36.7?2
Experimental Properties
- PSA: 36.68
Benzonitrile, 4-(2-quinolinyl)- Related Literature
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1. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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