Cas no 67515-54-2 ( )
structure
Product Name:
CAS No:67515-54-2
MF:C8H3F5O
MW:210.100839853287
CID:877452
PubChem ID:45081960
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 4-fluoro-3-(trifluoromethyl)benzoyl fluoride
- Benzoyl fluoride, 4-fluoro-3-(trifluoromethyl)- (9CI)
- 67515-54-2
- Benzoyl fluoride,4-fluoro-3-(trifluoromethyl)-(9ci)
- LUWRKDCBHVRKOA-UHFFFAOYSA-N
- DTXSID20664986
-
-
- Inchi： 1S/C8H3F5O/c9-6-2-1-4(7(10)14)3-5(6)8(11,12)13/h1-3H
- InChI Key： LUWRKDCBHVRKOA-UHFFFAOYSA-N
- SMILES： FC1=CC=C(C(=O)F)C=C1C(F)(F)F
Computed Properties
- Exact Mass: 210.01040553g/mol
- Monoisotopic Mass: 210.01040553g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 224
- 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: 2.9
- Topological Polar Surface Area: 17.1?2
Related Literature
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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