Cas no 61204-11-3 (Benzaldehyde, 4,4',4''-(trifluoroethylidyne)tris-)
61204-11-3 structure
Product Name:Benzaldehyde, 4,4',4''-(trifluoroethylidyne)tris-
CAS No:61204-11-3
MF:C23H15F3O3
MW:396.358617067337
CID:488541
PubChem ID:20557373
Update Time:2025-04-19
Benzaldehyde, 4,4',4''-(trifluoroethylidyne)tris- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 4,4',4''-(trifluoroethylidyne)tris-
- 4-[2,2,2-trifluoro-1,1-bis(4-formylphenyl)ethyl]benzaldehyde
- SCHEMBL11358406
- 61204-11-3
- 4,4',4''-(2,2,2-Trifluoroethane-1,1,1-triyl)tribenzaldehyde
- CHMGOYCOTJACOD-UHFFFAOYSA-N
- DTXSID80608664
-
- Inchi： 1S/C23H15F3O3/c24-23(25,26)22(19-7-1-16(13-27)2-8-19,20-9-3-17(14-28)4-10-20)21-11-5-18(15-29)6-12-21/h1-15H
- InChI Key： CHMGOYCOTJACOD-UHFFFAOYSA-N
- SMILES： FC(C(C1C=CC(C=O)=CC=1)(C1C=CC(C=O)=CC=1)C1C=CC(C=O)=CC=1)(F)F
Computed Properties
- Exact Mass: 396.09735
- Monoisotopic Mass: 396.09732882g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 29
- Rotatable Bond Count: 6
- Complexity: 495
- 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: 4.8
- Topological Polar Surface Area: 51.2?2
Experimental Properties
- PSA: 51.21
Benzaldehyde, 4,4',4''-(trifluoroethylidyne)tris- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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