Cas no 59709-84-1 (Disodium 4,4'-(1-methylethylidene)bis(2,6-dibromophenolate))
59709-84-1 structure
Product Name:Disodium 4,4'-(1-methylethylidene)bis(2,6-dibromophenolate)
CAS No:59709-84-1
MF:C15H10Br4Na2O2
MW:587.834243297577
CID:335325
Update Time:2023-11-19
Disodium 4,4'-(1-methylethylidene)bis(2,6-dibromophenolate) Chemical and Physical Properties
Names and Identifiers
-
- Disodium 4,4'-(1-methylethylidene)bis(2,6-dibromophenolate)
- CID 90473794
-
- Inchi: 1S/C15H12Br4O2.2Na/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8;;/h3-6,20-21H,1-2H3;;/q;2*+1/p-2
- InChI Key: AIBSRDJPPMFMBQ-UHFFFAOYSA-L
- SMILES: BrC1C(=C(C=C(C=1)C(C)(C)C1C=C(C(=C(C=1)Br)[O-])Br)Br)[O-].[Na+].[Na+]
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 310
- Topological Polar Surface Area: 46.1
Disodium 4,4'-(1-methylethylidene)bis(2,6-dibromophenolate) Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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