Cas no 849587-91-3 (Polybromohydroxydiphenyl ethers; 3,3',5,5'-Tetrabromo-2,2'-dihydroxydiphenyl ether, Di-Me ether)
849587-91-3 structure
Product Name:Polybromohydroxydiphenyl ethers; 3,3',5,5'-Tetrabromo-2,2'-dihydroxydiphenyl ether, Di-Me ether
CAS No:849587-91-3
MF:C14H10Br4O3
MW:545.843401432037
CID:2806540
PubChem ID:71406618
Update Time:2025-04-21
Polybromohydroxydiphenyl ethers; 3,3',5,5'-Tetrabromo-2,2'-dihydroxydiphenyl ether, Di-Me ether Chemical and Physical Properties
Names and Identifiers
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- 849587-91-3
- DTXSID00827219
- 1,1'-Oxybis(3,5-dibromo-2-methoxybenzene)
- Polybromohydroxydiphenyl ethers; 3,3',5,5'-Tetrabromo-2,2'-dihydroxydiphenyl ether, Di-Me ether
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- Inchi： 1S/C14H10Br4O3/c1-19-13-9(17)3-7(15)5-11(13)21-12-6-8(16)4-10(18)14(12)20-2/h3-6H,1-2H3
- InChI Key： LYCJCPPCDKQOAM-UHFFFAOYSA-N
- SMILES： COC1C(OC2C(OC)=C(Br)C=C(Br)C=2)=CC(Br)=CC=1Br
Computed Properties
- Exact Mass: 545.73225Da
- Monoisotopic Mass: 541.73634Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 303
- 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: 6.2
- Topological Polar Surface Area: 27.7?2
Polybromohydroxydiphenyl ethers; 3,3',5,5'-Tetrabromo-2,2'-dihydroxydiphenyl ether, Di-Me ether Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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