Cas no 62584-76-3 (Benzonitrile, 4-(3-[1,1'-biphenyl]-4-yl-3-oxopropyl)-)
![Benzonitrile, 4-(3-[1,1'-biphenyl]-4-yl-3-oxopropyl)- structure](https://ossimg.kuujia.com/scimg/63000/62584-76-3x500.png)
62584-76-3 structure
Product Name:Benzonitrile, 4-(3-[1,1'-biphenyl]-4-yl-3-oxopropyl)-
CAS No:62584-76-3
MF:C22H17NO
MW:311.376485586166
CID:439129
PubChem ID:12340094
Update Time:2025-04-19
Benzonitrile, 4-(3-[1,1'-biphenyl]-4-yl-3-oxopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-(3-[1,1'-biphenyl]-4-yl-3-oxopropyl)-
- 4-[3-oxo-3-(4-phenylphenyl)propyl]benzonitrile
- DTXSID60491859
- 62584-76-3
- 4-[3-([1,1'-Biphenyl]-4-yl)-3-oxopropyl]benzonitrile
-
- Inchi： 1S/C22H17NO/c23-16-18-8-6-17(7-9-18)10-15-22(24)21-13-11-20(12-14-21)19-4-2-1-3-5-19/h1-9,11-14H,10,15H2
- InChI Key： NTODQWMUUZNTJP-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(C2C=CC=CC=2)=CC=1)CCC1C=CC(C#N)=CC=1
Computed Properties
- Exact Mass: 311.13111
- Monoisotopic Mass: 311.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 440
- 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: 4.8
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- PSA: 40.86
Benzonitrile, 4-(3-[1,1'-biphenyl]-4-yl-3-oxopropyl)- Related Literature
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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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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
62584-76-3 (Benzonitrile, 4-(3-[1,1'-biphenyl]-4-yl-3-oxopropyl)-) Related Products
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