Cas no 467456-99-1 (Ethanone, 1-(2-amino-4-chloro-3-fluorophenyl)-2-chloro-)
467456-99-1 structure
Product Name:Ethanone, 1-(2-amino-4-chloro-3-fluorophenyl)-2-chloro-
CAS No:467456-99-1
MF:C8H6Cl2FNO
MW:222.043743610382
CID:2182943
PubChem ID:45118021
Update Time:2025-04-21
Ethanone, 1-(2-amino-4-chloro-3-fluorophenyl)-2-chloro- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(2-amino-4-chloro-3-fluorophenyl)-2-chloro-
- 1-(2-amino-4-chloro-3-fluorophenyl)-2-chloroethanone
- JMTRCMUHKAGCTI-UHFFFAOYSA-N
- SCHEMBL16614214
- 1-(2-amino-4-chloro-3-fluorophenyl)-2-chloroethan-1-one
- 467456-99-1
- DB-275959
-
- Inchi： 1S/C8H6Cl2FNO/c9-3-6(13)4-1-2-5(10)7(11)8(4)12/h1-2H,3,12H2
- InChI Key： JMTRCMUHKAGCTI-UHFFFAOYSA-N
- SMILES： ClC1C=CC(C(CCl)=O)=C(C=1F)N
Computed Properties
- Exact Mass: 220.9810474Da
- Monoisotopic Mass: 220.9810474Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 203
- 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: 2.8
- Topological Polar Surface Area: 43.1?2
Ethanone, 1-(2-amino-4-chloro-3-fluorophenyl)-2-chloro- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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