Cas no 461435-89-2 ( )
structure
Product Name:
CAS No:461435-89-2
MF:C10H10Cl2O
MW:217.091801166534
CID:874463
PubChem ID:45081132
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 2-chloro-1-(3-chloro-2-ethylphenyl)ethanone
- Ethanone, 2-chloro-1-(3-chloro-2-ethylphenyl)- (9CI)
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- Inchi： 1S/C10H10Cl2O/c1-2-7-8(10(13)6-11)4-3-5-9(7)12/h3-5H,2,6H2,1H3
- InChI Key： KYYFCLUCBHESHA-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(C(CCl)=O)=C1CC
Computed Properties
- Exact Mass: 216.011
- Monoisotopic Mass: 216.011
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 182
- 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
- Topological Polar Surface Area: 17.1A^2
- XLogP3: 3.7
Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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