Cas no 55377-81-6 (5-(3,4-Difluorophenyl)-furan-2-carboxylic acid)
55377-81-6 structure
Product Name:5-(3,4-Difluorophenyl)-furan-2-carboxylic acid
CAS No:55377-81-6
MF:C11H6F2O3
MW:224.160350322723
CID:943840
PubChem ID:13730258
Update Time:2025-04-19
5-(3,4-Difluorophenyl)-furan-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-(3,4-Difluorophenyl)-furan-2-carboxylic acid
- 5-(3,4-difluorophenyl)furan-2-carboxylic acid
- 2-Furancarboxylic acid,5-(3,4-difluorophenyl)
- SCHEMBL3731167
- 55377-81-6
- DB-295675
- DTXSID80547827
-
- Inchi： 1S/C11H6F2O3/c12-7-2-1-6(5-8(7)13)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)
- InChI Key： MERUWKFJLJNLRB-UHFFFAOYSA-N
- SMILES： FC1=C(C=CC(=C1)C1=CC=C(C(=O)O)O1)F
Computed Properties
- Exact Mass: 224.02900
- Monoisotopic Mass: 224.02850037g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 272
- 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: 2.7
- Topological Polar Surface Area: 50.4?2
Experimental Properties
- PSA: 50.44000
- LogP: 2.92300
5-(3,4-Difluorophenyl)-furan-2-carboxylic acid Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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