Cas no 503829-92-3 (Benzonitrile, 3-[([1,1'-biphenyl]-4-yloxy)methyl]-)
![Benzonitrile, 3-[([1,1'-biphenyl]-4-yloxy)methyl]- structure](https://ossimg.kuujia.com/scimg/504000/503829-92-3x500.png)
503829-92-3 structure
Product Name:Benzonitrile, 3-[([1,1'-biphenyl]-4-yloxy)methyl]-
CAS No:503829-92-3
MF:C20H15NO
MW:285.339205026627
CID:1566261
PubChem ID:39158632
Update Time:2025-04-21
Benzonitrile, 3-[([1,1'-biphenyl]-4-yloxy)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 3-[([1,1'-biphenyl]-4-yloxy)methyl]-
- QBWSEMLZLBMDRO-UHFFFAOYSA-N
- DB-424307
- 3-(biphenyl-4-yloxymethyl)benzonitrile
- 3-(biphenyl-4-yloxymethyl)-benzonitrile
- SCHEMBL1247999
- 503829-92-3
- 3-[([1,1'-Biphenyl]-4-yloxy)methyl]benzonitrile
-
- Inchi： 1S/C20H15NO/c21-14-16-5-4-6-17(13-16)15-22-20-11-9-19(10-12-20)18-7-2-1-3-8-18/h1-13H,15H2
- InChI Key： QBWSEMLZLBMDRO-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=C(C#N)C=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: 370
- 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: 4.7
- Topological Polar Surface Area: 33?2
Experimental Properties
- PSA: 33.02
Benzonitrile, 3-[([1,1'-biphenyl]-4-yloxy)methyl]- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
503829-92-3 (Benzonitrile, 3-[([1,1'-biphenyl]-4-yloxy)methyl]-) Related Products
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