Cas no 408529-06-6 ( )
structure
Product Name:
CAS No:408529-06-6
MF:C8H5Cl2FO
MW:207.02910399437
CID:870537
PubChem ID:20187550
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 2-chloro-1-(4-chlorophenyl)-2-fluoroethanone
- Ethanone, 2-chloro-1-(4-chlorophenyl)-2-fluoro- (9CI)
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- Inchi： 1S/C8H5Cl2FO/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,8H
- InChI Key： OGBGPZHQNCMSEK-UHFFFAOYSA-N
- SMILES： ClC1C=CC(C(C(F)Cl)=O)=CC=1
Computed Properties
- Exact Mass: 205.9701483g/mol
- Monoisotopic Mass: 205.9701483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 166
- 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
- XLogP3: 3.3
- Topological Polar Surface Area: 17.1?2
Related Literature
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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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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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