Cas no 1578-17-2 (2-Propanone, 1-bromo-1,3-dichloro-)
1578-17-2 structure
Product Name:2-Propanone, 1-bromo-1,3-dichloro-
CAS No:1578-17-2
MF:C3H3BrCl2O
MW:205.865318536758
CID:1335528
Update Time:2024-08-18
2-Propanone, 1-bromo-1,3-dichloro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanone, 1-bromo-1,3-dichloro-
-
- Inchi： 1S/C3H3BrCl2O/c4-3(6)2(7)1-5/h3H,1H2
- InChI Key： WBFGEWREMQSMMN-UHFFFAOYSA-N
- SMILES： ClCC(C(Br)Cl)=O
Computed Properties
- Exact Mass: 203.87449
- Monoisotopic Mass: 203.874
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 75.3
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1A^2
Experimental Properties
- PSA: 17.07
2-Propanone, 1-bromo-1,3-dichloro- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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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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