Cas no 62056-10-4 (2-Propen-1-one, 3-phenyl-1-[4-(trifluoromethyl)phenyl]-)
62056-10-4 structure
Product Name:2-Propen-1-one, 3-phenyl-1-[4-(trifluoromethyl)phenyl]-
CAS No:62056-10-4
MF:C16H11F3O
MW:276.253154993057
CID:459543
PubChem ID:54018686
Update Time:2025-04-19
2-Propen-1-one, 3-phenyl-1-[4-(trifluoromethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propen-1-one, 3-phenyl-1-[4-(trifluoromethyl)phenyl]-
- 3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
- DTXSID10708429
- PD150340
- 3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one
- KXJRYNOBBVODML-UHFFFAOYSA-N
- AKOS017230457
- 62056-10-4
-
- Inchi: 1S/C16H11F3O/c17-16(18,19)14-9-7-13(8-10-14)15(20)11-6-12-4-2-1-3-5-12/h1-11H
- InChI Key: KXJRYNOBBVODML-UHFFFAOYSA-N
- SMILES: FC(C1C=CC(C(C=CC2C=CC=CC=2)=O)=CC=1)(F)F
Computed Properties
- Exact Mass: 276.07623
- Monoisotopic Mass: 276.07619946g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 345
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Propen-1-one, 3-phenyl-1-[4-(trifluoromethyl)phenyl]- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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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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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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