Cas no 955403-50-6 (Benzenepropanal, 2,3,5-trifluoro- (or 3-(2,3,5-Trifluorophenyl)propionaldehyde ))
955403-50-6 structure
Product Name:Benzenepropanal, 2,3,5-trifluoro- (or 3-(2,3,5-Trifluorophenyl)propionaldehyde )
CAS No:955403-50-6
MF:C9H7F3O
MW:188.146493196487
CID:832793
PubChem ID:53434253
Update Time:2025-04-19
Benzenepropanal, 2,3,5-trifluoro- (or 3-(2,3,5-Trifluorophenyl)propionaldehyde ) Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanal, 2,3,5-trifluoro- (or 3-(2,3,5-Trifluorophenyl)propionaldehyde )
- 3-(2,3,5-Trifluorophenyl)propanal
- AKOS006289559
- Benzenepropanal, 2,3,5-trifluoro-
- DTXSID001306671
- 2,3,5-Trifluorobenzenepropanal
- 3-(2,3,5-trifluorophenyl)propionaldehyde
- 3-(2,3,5-trifluoro-phenyl)-propionaldehyde
- starbld0032249
- SCHEMBL586066
- 955403-50-6
- IDBICMYDPRUWDW-UHFFFAOYSA-N
-
- Inchi： 1S/C9H7F3O/c10-7-4-6(2-1-3-13)9(12)8(11)5-7/h3-5H,1-2H2
- InChI Key： IDBICMYDPRUWDW-UHFFFAOYSA-N
- SMILES： FC1C(=CC(=CC=1CCC=O)F)F
Computed Properties
- Exact Mass: 188.04489933g/mol
- Monoisotopic Mass: 188.04489933g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 174
- 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: 1.9
- Topological Polar Surface Area: 17.1?2
Benzenepropanal, 2,3,5-trifluoro- (or 3-(2,3,5-Trifluorophenyl)propionaldehyde ) Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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