Cas no 503829-94-5 (Benzonitrile, 4-[([1,1'-biphenyl]-4-yloxy)methyl]-)
![Benzonitrile, 4-[([1,1'-biphenyl]-4-yloxy)methyl]- structure](https://ossimg.kuujia.com/scimg/504000/503829-94-5x500.png)
503829-94-5 structure
Product Name:Benzonitrile, 4-[([1,1'-biphenyl]-4-yloxy)methyl]-
CAS No:503829-94-5
MF:C20H15NO
MW:285.339205026627
CID:1565813
PubChem ID:7919523
Update Time:2025-04-21
Benzonitrile, 4-[([1,1'-biphenyl]-4-yloxy)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-[([1,1'-biphenyl]-4-yloxy)methyl]-
- 4-(biphenyl4-yloxymethyl)benzonitrile
- 4-[([1,1'-Biphenyl]-4-yloxy)methyl]benzonitrile
- 503829-94-5
- SCHEMBL1249162
- 4-(biphenyl-4-yloxymethyl)benzonitrile
- DB-425754
- PZMAAUVBBMCEPT-UHFFFAOYSA-N
-
- Inchi： 1S/C20H15NO/c21-14-16-6-8-17(9-7-16)15-22-20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-13H,15H2
- InChI Key： PZMAAUVBBMCEPT-UHFFFAOYSA-N
- SMILES： O(CC1C=CC(C#N)=CC=1)C1C=CC(=CC=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 285.11545
- Monoisotopic Mass: 285.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 362
- 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: 5.1
- Topological Polar Surface Area: 33?2
Experimental Properties
- PSA: 33.02
Benzonitrile, 4-[([1,1'-biphenyl]-4-yloxy)methyl]- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Julia M. Yeomans Soft Matter, 2010,6, 703-704
503829-94-5 (Benzonitrile, 4-[([1,1'-biphenyl]-4-yloxy)methyl]-) Related Products
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