Cas no 141452-47-3 (Phenol, 4,4'-oxybis[2-bromo-6-chloro-)
141452-47-3 structure
Product Name:Phenol, 4,4'-oxybis[2-bromo-6-chloro-
CAS No:141452-47-3
MF:C12H6Br2Cl2O3
MW:428.888240337372
CID:1307099
PubChem ID:71343747
Update Time:2025-04-20
Phenol, 4,4'-oxybis[2-bromo-6-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 2-bromo-4-(3-bromo-5-chloro-4-hydroxyphenoxy)-6-chlorophenol
- 141452-47-3
- DTXSID20770298
- 4,4'-Oxybis(2-bromo-6-chlorophenol)
- Phenol, 4,4'-oxybis[2-bromo-6-chloro-
-
- Inchi： 1S/C12H6Br2Cl2O3/c13-7-1-5(3-9(15)11(7)17)19-6-2-8(14)12(18)10(16)4-6/h1-4,17-18H
- InChI Key： IUBUPIAGFBMYIW-UHFFFAOYSA-N
- SMILES： BrC1=C(C(=CC(=C1)OC1C=C(C(=C(C=1)Br)O)Cl)Cl)O
Computed Properties
- Exact Mass: 425.80608
- Monoisotopic Mass: 425.80607g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 283
- 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: 5.4
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- PSA: 49.69
Phenol, 4,4'-oxybis[2-bromo-6-chloro- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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