Cas no 112368-54-4 (Ethanone,2-bromo-1-[4-(fluoro-18F)phenyl]-)
![Ethanone,2-bromo-1-[4-(fluoro-18F)phenyl]- structure](https://ossimg.kuujia.com/scimg/112500/112368-54-4x500.png)
112368-54-4 structure
Product Name:Ethanone,2-bromo-1-[4-(fluoro-18F)phenyl]-
CAS No:112368-54-4
MF:C8H6BrFO
MW:216.037580013275
CID:178666
PubChem ID:451341
Update Time:2025-04-19
Ethanone,2-bromo-1-[4-(fluoro-18F)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,2-bromo-1-[4-(fluoro-18F)phenyl]-
- 2-bromo-1-(4-fluoranylphenyl)ethanone
- 4-fluorophenacyl bromide
- (18F) 4-Fluorophenacyl bromide
- 2-Bromo-1-(4-(fluoro-18F)phenyl)ethanone
- 2-bromo-1-(4-fluorophenyl)ethanone
- 2-bromo-1-[4-(~18~F)fluorophenyl]ethanone
- Ethanone, 2-bromo-1-(4-(fluoro-18F)phenyl)-
- 112368-54-4
- 2-bromo-1-(4-(18F)fluoranylphenyl)ethanone
- SCHEMBL10327311
- 2-Bromo-1-[4-(~18~F)fluorophenyl]ethan-1-one
- DTXSID30920742
- MOLI001956
-
- Inchi： 1S/C8H6BrFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2/i10-1
- InChI Key： ZJFWCELATJMDNO-LMANFOLPSA-N
- SMILES： BrCC(C1C=CC(=CC=1)[18F])=O
Computed Properties
- Exact Mass: 215.95858
- Monoisotopic Mass: 214.96114g/mol
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 141
- 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: 2.5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Ethanone,2-bromo-1-[4-(fluoro-18F)phenyl]- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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