Cas no 52112-24-0 (benzene, 1-fluoro-3-(1-propynyl)- (9ci))
52112-24-0 structure
Product Name:benzene, 1-fluoro-3-(1-propynyl)- (9ci)
CAS No:52112-24-0
MF:C9H7F
MW:134.150285959244
CID:936396
PubChem ID:45079234
Update Time:2025-04-19
benzene, 1-fluoro-3-(1-propynyl)- (9ci) Chemical and Physical Properties
Names and Identifiers
-
- benzene, 1-fluoro-3-(1-propynyl)- (9ci)
- 1-fluoro-3-prop-1-ynylbenzene
- DB-273877
- 1-fluoro-3-(prop-1-ynyl)benzene
- 1-Fluoro-3-(prop-1-yn-1-yl)benzene
- BENZENE, 1-FLUORO-3-(1-PROPYNYL)-
- A18835
- 1-Fluoro-3-(1-propyn-1-yl)-benzene
- SCHEMBL935880
- 52112-24-0
- DTXSID00663674
-
- Inchi： 1S/C9H7F/c1-2-4-8-5-3-6-9(10)7-8/h3,5-7H,1H3
- InChI Key： STGVJTLTFMZKFG-UHFFFAOYSA-N
- SMILES： FC1=CC=CC(C#CC)=C1
Computed Properties
- Exact Mass: 134.053
- Monoisotopic Mass: 134.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 160
- 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: 3.1
- Topological Polar Surface Area: 0A^2
benzene, 1-fluoro-3-(1-propynyl)- (9ci) Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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