Cas no 62584-22-9 (Benzoyl fluoride, 4-chloro-3-(trifluoromethyl)-)
62584-22-9 structure
Product Name:Benzoyl fluoride, 4-chloro-3-(trifluoromethyl)-
CAS No:62584-22-9
MF:C8H3ClF4O
MW:226.555435419083
CID:439179
PubChem ID:71384966
Update Time:2025-04-19
Benzoyl fluoride, 4-chloro-3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl fluoride, 4-chloro-3-(trifluoromethyl)-
- 4-chloro-3-(trifluoromethyl)benzoyl fluoride
- 62584-22-9
- DTXSID00807213
-
- Inchi： 1S/C8H3ClF4O/c9-6-2-1-4(7(10)14)3-5(6)8(11,12)13/h1-3H
- InChI Key： PWVWHORSCWVBKV-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C(=O)F)C=C1C(F)(F)F
Computed Properties
- Exact Mass: 225.98089
- Monoisotopic Mass: 225.9808551g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 228
- 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: 4.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Benzoyl fluoride, 4-chloro-3-(trifluoromethyl)- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
62584-22-9 (Benzoyl fluoride, 4-chloro-3-(trifluoromethyl)-) Related Products
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