Cas no 91821-49-7 (1,3-Benzodioxole, 4,5,6,7-tetrachloro-2-phenyl-)
91821-49-7 structure
Product Name:1,3-Benzodioxole, 4,5,6,7-tetrachloro-2-phenyl-
CAS No:91821-49-7
MF:C13H6Cl4O2
MW:335.997539997101
CID:778733
PubChem ID:2755419
Update Time:2025-04-19
1,3-Benzodioxole, 4,5,6,7-tetrachloro-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole, 4,5,6,7-tetrachloro-2-phenyl-
- 4,5,6,7-tetrachloro-2-phenyl-1,3-benzodioxole
- 91821-49-7
- AKOS004902545
- DTXSID90373093
-
- Inchi： 1S/C13H6Cl4O2/c14-7-8(15)10(17)12-11(9(7)16)18-13(19-12)6-4-2-1-3-5-6/h1-5,13H
- InChI Key： LQGXPKKLQYWOEO-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=C(C2=C1OC(C1C=CC=CC=1)O2)Cl)Cl)Cl
Computed Properties
- Exact Mass: 335.909240g/mol
- Monoisotopic Mass: 333.912190g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 302
- 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: 5.8
- Topological Polar Surface Area: 18.5?2
1,3-Benzodioxole, 4,5,6,7-tetrachloro-2-phenyl- Related Literature
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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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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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