Cas no 62584-52-5 (Benzenemethanol, 4,4'-oxybis[2,3,5,6-tetrachloro-)
62584-52-5 structure
Product Name:Benzenemethanol, 4,4'-oxybis[2,3,5,6-tetrachloro-
CAS No:62584-52-5
MF:C14H6Cl8O3
MW:505.819636821747
CID:439153
PubChem ID:71384945
Update Time:2025-04-19
Benzenemethanol, 4,4'-oxybis[2,3,5,6-tetrachloro- Chemical and Physical Properties
Names and Identifiers
-
- [2,3,5,6-tetrachloro-4-[2,3,5,6-tetrachloro-4-(hydroxymethyl)phenoxy]phenyl]methanol
- [Oxybis(2,3,5,6-tetrachloro-4,1-phenylene)]dimethanol
- DTXSID00807192
- 62584-52-5
- Benzenemethanol, 4,4'-oxybis[2,3,5,6-tetrachloro-
-
- Inchi： 1S/C14H6Cl8O3/c15-5-3(1-23)6(16)10(20)13(9(5)19)25-14-11(21)7(17)4(2-24)8(18)12(14)22/h23-24H,1-2H2
- InChI Key： DAYMFTDOGNWEIP-UHFFFAOYSA-N
- SMILES： ClC1C(=C(CO)C(=C(C=1OC1C(=C(C(CO)=C(C=1Cl)Cl)Cl)Cl)Cl)Cl)Cl
Computed Properties
- Exact Mass: 501.78288
- Monoisotopic Mass: 501.782516g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 376
- 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: 6.7
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- PSA: 49.69
Benzenemethanol, 4,4'-oxybis[2,3,5,6-tetrachloro- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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