Cas no 924868-79-1 (2,4-Difluorophenyl propanoate)
2,4-Difluorophenyl propanoate structure
Product Name:2,4-Difluorophenyl propanoate
CAS No:924868-79-1
MF:C9H8F2O2
MW:186.155429840088
CID:3142912
PubChem ID:18525986
Update Time:2025-04-21
2,4-Difluorophenyl propanoate Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Difluorophenyl propanoate
- AKOS005069793
- (2,4-difluorophenyl) propanoate
- SCHEMBL1994886
- 924868-79-1
- 2,4-Difluorophenyl propionate
-
- Inchi： 1S/C9H8F2O2/c1-2-9(12)13-8-4-3-6(10)5-7(8)11/h3-5H,2H2,1H3
- InChI Key： XDQYVCHPHFEEKY-UHFFFAOYSA-N
- SMILES： FC1C=C(C=CC=1OC(CC)=O)F
Computed Properties
- Exact Mass: 186.049
- Monoisotopic Mass: 186.049
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 185
- 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
- Topological Polar Surface Area: 26.3A^2
- XLogP3: 2.3
2,4-Difluorophenyl propanoate Related Literature
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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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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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