Cas no 875119-43-0 (Benzeneacetaldehyde, 2,4-dichloro-5-fluoro-α-oxo-)
875119-43-0 structure
Product Name:Benzeneacetaldehyde, 2,4-dichloro-5-fluoro-α-oxo-
CAS No:875119-43-0
MF:C8H3Cl2FO2
MW:221.012624025345
CID:2736962
PubChem ID:11379025
Update Time:2024-03-01
Benzeneacetaldehyde, 2,4-dichloro-5-fluoro-α-oxo- Chemical and Physical Properties
Names and Identifiers
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- Benzeneacetaldehyde, 2,4-dichloro-5-fluoro-α-oxo-
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- Inchi： 1S/C8H3Cl2FO2/c9-5-2-6(10)7(11)1-4(5)8(13)3-12/h1-3H
- InChI Key： UDCLFLLKQIRWHA-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=CC=1C(C=O)=O)F)Cl
Computed Properties
- Exact Mass: 219.9494129g/mol
- Monoisotopic Mass: 219.9494129g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 222
- 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: 2.6
- Topological Polar Surface Area: 34.1?2
Benzeneacetaldehyde, 2,4-dichloro-5-fluoro-α-oxo- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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