Cas no 53831-51-9 (Ethanedione, 1,1'-(oxydi-4,1-phenylene)bis[2-(4-bromophenyl)-)
53831-51-9 structure
Product Name:Ethanedione, 1,1'-(oxydi-4,1-phenylene)bis[2-(4-bromophenyl)-
CAS No:53831-51-9
MF:C28H16Br2O5
MW:592.231646537781
CID:356268
PubChem ID:58813187
Update Time:2025-04-19
Ethanedione, 1,1'-(oxydi-4,1-phenylene)bis[2-(4-bromophenyl)- Chemical and Physical Properties
Names and Identifiers
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- 1-(4-bromophenyl)-2-[4-[4-[2-(4-bromophenyl)-2-oxoacetyl]phenoxy]phenyl]ethane-1,2-dione
- DTXSID90730304
- SCHEMBL11795251
- 1,1'-[Oxydi(4,1-phenylene)]bis[(4-bromophenyl)ethane-1,2-dione]
- 53831-51-9
- Ethanedione, 1,1'-(oxydi-4,1-phenylene)bis[2-(4-bromophenyl)-
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- Inchi: 1S/C28H16Br2O5/c29-21-9-1-17(2-10-21)25(31)27(33)19-5-13-23(14-6-19)35-24-15-7-20(8-16-24)28(34)26(32)18-3-11-22(30)12-4-18/h1-16H
- InChI Key: OQXNFZUUWOERSY-UHFFFAOYSA-N
- SMILES: BrC1C=CC(=CC=1)C(C(C1C=CC(=CC=1)OC1C=CC(C(C(C2C=CC(=CC=2)Br)=O)=O)=CC=1)=O)=O
Computed Properties
- Exact Mass: 589.93638
- Monoisotopic Mass: 589.93645g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 35
- Rotatable Bond Count: 8
- Complexity: 702
- 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: 6.8
- Topological Polar Surface Area: 77.5?2
Experimental Properties
- PSA: 77.51
Ethanedione, 1,1'-(oxydi-4,1-phenylene)bis[2-(4-bromophenyl)- Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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