Cas no 81547-77-5 (2,2-Dibromo-1-(2,6-dichlorophenyl)ethanone)
81547-77-5 structure
Product Name:2,2-Dibromo-1-(2,6-dichlorophenyl)ethanone
CAS No:81547-77-5
MF:C8H4Br2Cl2O
MW:346.830759048462
CID:5521738
PubChem ID:12863950
Update Time:2024-03-01
2,2-Dibromo-1-(2,6-dichlorophenyl)ethanone Chemical and Physical Properties
Names and Identifiers
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- 2,2-Dibromo-1-(2,6-dichlorophenyl)ethanone
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- Inchi： 1S/C8H4Br2Cl2O/c9-8(10)7(13)6-4(11)2-1-3-5(6)12/h1-3,8H
- InChI Key： MKJASCNDJDSQKD-UHFFFAOYSA-N
- SMILES： C(C1C(=CC=CC=1Cl)Cl)(=O)C(Br)Br
Computed Properties
- Exact Mass: 345.79855g/mol
- Monoisotopic Mass: 343.80060g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 189
- 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: 4.5
- Topological Polar Surface Area: 17.1?2
2,2-Dibromo-1-(2,6-dichlorophenyl)ethanone Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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