Cas no 858035-54-8 ([1,1'-Biphenyl]-4-carbonitrile, 2'-benzoyl-)
![[1,1'-Biphenyl]-4-carbonitrile, 2'-benzoyl- structure](https://ossimg.kuujia.com/scimg/858500/858035-54-8x500.png)
858035-54-8 structure
Product Name:[1,1'-Biphenyl]-4-carbonitrile, 2'-benzoyl-
CAS No:858035-54-8
MF:C20H13NO
MW:283.323324918747
CID:663375
PubChem ID:12188421
Update Time:2025-04-19
[1,1'-Biphenyl]-4-carbonitrile, 2'-benzoyl- Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-Biphenyl]-4-carbonitrile, 2'-benzoyl-
- 4-(2-benzoylphenyl)benzonitrile
- DTXSID50479707
- 858035-54-8
-
- Inchi： 1S/C20H13NO/c21-14-15-10-12-16(13-11-15)18-8-4-5-9-19(18)20(22)17-6-2-1-3-7-17/h1-13H
- InChI Key： VNVIVYQRMLLGCW-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)C1=CC=CC=C1C1C=CC(C#N)=CC=1
Computed Properties
- Exact Mass: 283.099714038g/mol
- Monoisotopic Mass: 283.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 420
- 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: 4.6
- Topological Polar Surface Area: 40.9?2
[1,1'-Biphenyl]-4-carbonitrile, 2'-benzoyl- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
858035-54-8 ([1,1'-Biphenyl]-4-carbonitrile, 2'-benzoyl-) Related Products
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