Cas no 648891-33-2 (Benzonitrile, 4,4'-[(5-methoxy-4-nitro-1,3-phenylene)bis(oxy)]bis-)
![Benzonitrile, 4,4'-[(5-methoxy-4-nitro-1,3-phenylene)bis(oxy)]bis- structure](https://ossimg.kuujia.com/scimg/649000/648891-33-2x500.png)
648891-33-2 structure
Product Name:Benzonitrile, 4,4'-[(5-methoxy-4-nitro-1,3-phenylene)bis(oxy)]bis-
CAS No:648891-33-2
MF:C21H13N3O5
MW:387.345024824142
CID:413467
PubChem ID:71378185
Update Time:2025-04-19
Benzonitrile, 4,4'-[(5-methoxy-4-nitro-1,3-phenylene)bis(oxy)]bis- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4,4'-[(5-methoxy-4-nitro-1,3-phenylene)bis(oxy)]bis-
- 4-[3-(4-cyanophenoxy)-5-methoxy-4-nitrophenoxy]benzonitrile
- 648891-33-2
- DTXSID20800807
- 4,4'-[(5-Methoxy-4-nitro-1,3-phenylene)bis(oxy)]dibenzonitrile
-
- Inchi： 1S/C21H13N3O5/c1-27-19-10-18(28-16-6-2-14(12-22)3-7-16)11-20(21(19)24(25)26)29-17-8-4-15(13-23)5-9-17/h2-11H,1H3
- InChI Key： UPCSWQGDUSAVFT-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C#N)=CC=1)C1C=C(C=C(C=1[N+](=O)[O-])OC)OC1C=CC(C#N)=CC=1
Computed Properties
- Exact Mass: 387.08559
- Monoisotopic Mass: 387.08552052g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 29
- Rotatable Bond Count: 5
- Complexity: 646
- 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: 4.2
- Topological Polar Surface Area: 121?2
Experimental Properties
- PSA: 118.41
Benzonitrile, 4,4'-[(5-methoxy-4-nitro-1,3-phenylene)bis(oxy)]bis- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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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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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
648891-33-2 (Benzonitrile, 4,4'-[(5-methoxy-4-nitro-1,3-phenylene)bis(oxy)]bis-) Related Products
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