Cas no 121060-02-4 (1-(2,4-Dihydroxyphenyl)-2-(2-fluorophenyl)ethanone)
121060-02-4 structure
Product Name:1-(2,4-Dihydroxyphenyl)-2-(2-fluorophenyl)ethanone
CAS No:121060-02-4
MF:C14H11FO3
MW:246.233747720718
CID:2889625
PubChem ID:798879
Update Time:2025-04-21
1-(2,4-Dihydroxyphenyl)-2-(2-fluorophenyl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- STK928016
- 1-(2,4-dihydroxyphenyl)-2-(2-fluorophenyl)ethanone
- HMS2654J09
- Cambridge id 6872359
- SR-01000245145
- SMR000298820
- Oprea1_616939
- REGID_for_CID_798879
- Oprea1_557122
- 121060-02-4
- MLS000690559
- AKOS000276107
- AB00121929-01
- SR-01000245145-1
- CHEMBL1599707
- 1-(2,4-Dihydroxyphenyl)-2-(2-fluorophenyl)ethanone
-
- Inchi： 1S/C14H11FO3/c15-12-4-2-1-3-9(12)7-13(17)11-6-5-10(16)8-14(11)18/h1-6,8,16,18H,7H2
- InChI Key： MOSGILKWCKIFKC-UHFFFAOYSA-N
- SMILES： FC1C=CC=CC=1CC(C1C=CC(=CC=1O)O)=O
Computed Properties
- Exact Mass: 246.06922237g/mol
- Monoisotopic Mass: 246.06922237g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 295
- 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: 3.1
- Topological Polar Surface Area: 57.5?2
1-(2,4-Dihydroxyphenyl)-2-(2-fluorophenyl)ethanone Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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