Cas no 138831-38-6 (1,2-Benzenedicarbonitrile, 4-(4-phenoxyphenoxy)-)
138831-38-6 structure
Product Name:1,2-Benzenedicarbonitrile, 4-(4-phenoxyphenoxy)-
CAS No:138831-38-6
MF:C20H12N2O2
MW:312.321484565735
CID:1255376
PubChem ID:14945770
Update Time:2025-04-20
1,2-Benzenedicarbonitrile, 4-(4-phenoxyphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarbonitrile, 4-(4-phenoxyphenoxy)-
- 4-(4-phenoxyphenoxy)benzene-1,2-dicarbonitrile
- 138831-38-6
- 4-(4-benzeneoxyphenoxy)phthalonitrile
- SCHEMBL9745473
- DTXSID40565860
-
- Inchi： 1S/C20H12N2O2/c21-13-15-6-7-20(12-16(15)14-22)24-19-10-8-18(9-11-19)23-17-4-2-1-3-5-17/h1-12H
- InChI Key： GACAVLJBVAHSML-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C#N)=C(C#N)C=1)C1C=CC(=CC=1)OC1C=CC=CC=1
Computed Properties
- Exact Mass: 312.08996
- Monoisotopic Mass: 312.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 488
- 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: 4.4
- Topological Polar Surface Area: 66?2
Experimental Properties
- PSA: 66.04
1,2-Benzenedicarbonitrile, 4-(4-phenoxyphenoxy)- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
138831-38-6 (1,2-Benzenedicarbonitrile, 4-(4-phenoxyphenoxy)-) Related Products
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