Cas no 64380-49-0 (Ethanedione, 1,1'-(1,4-phenylene)bis[2-(4-chlorophenyl)-)
64380-49-0 structure
Product Name:Ethanedione, 1,1'-(1,4-phenylene)bis[2-(4-chlorophenyl)-
CAS No:64380-49-0
MF:C22H12Cl2O4
MW:411.23428440094
CID:423898
PubChem ID:71379948
Update Time:2025-04-19
Ethanedione, 1,1'-(1,4-phenylene)bis[2-(4-chlorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-chlorophenyl)-2-[4-[2-(4-chlorophenyl)-2-oxoacetyl]phenyl]ethane-1,2-dione
- 64380-49-0
- 1,1'-(1,4-Phenylene)bis[(4-chlorophenyl)ethane-1,2-dionato]
- DTXSID80802483
- Ethanedione, 1,1'-(1,4-phenylene)bis[2-(4-chlorophenyl)-
-
- Inchi： 1S/C22H12Cl2O4/c23-17-9-5-15(6-10-17)21(27)19(25)13-1-2-14(4-3-13)20(26)22(28)16-7-11-18(24)12-8-16/h1-12H
- InChI Key： LGDHUIPVAHPYMK-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C(C(C1C=CC(C(C(C2C=CC(=CC=2)Cl)=O)=O)=CC=1)=O)=O
Computed Properties
- Exact Mass: 410.01136
- Monoisotopic Mass: 410.0112642g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 6
- Complexity: 554
- 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: 5.2
- Topological Polar Surface Area: 68.3?2
Experimental Properties
- PSA: 68.28
Ethanedione, 1,1'-(1,4-phenylene)bis[2-(4-chlorophenyl)- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
64380-49-0 (Ethanedione, 1,1'-(1,4-phenylene)bis[2-(4-chlorophenyl)-) Related Products
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