Cas no 258345-78-7 (Ethanone, 1-(2,4-dichloro-3-fluorophenyl)-)
258345-78-7 structure
Product Name:Ethanone, 1-(2,4-dichloro-3-fluorophenyl)-
CAS No:258345-78-7
MF:C8H5Cl2FO
MW:207.02910399437
CID:1424262
PubChem ID:11528566
Update Time:2025-04-20
Ethanone, 1-(2,4-dichloro-3-fluorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(2,4-dichloro-3-fluorophenyl)-
- 2',4'-Dichloro-3'-fluoroacetophenone
- 258345-78-7
- 1-(2,4-Dichloro-3-fluorophenyl)ethanone
-
- Inchi： 1S/C8H5Cl2FO/c1-4(12)5-2-3-6(9)8(11)7(5)10/h2-3H,1H3
- InChI Key： QSVFLIQVCYWEMB-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C=CC=1C(C)=O)Cl)F
Computed Properties
- Exact Mass: 205.97025
- 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: 1
- Complexity: 186
- 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: 3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Ethanone, 1-(2,4-dichloro-3-fluorophenyl)- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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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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