Cas no 889938-98-1 (5-Isoxazolemethanol,3-(3-fluorophenyl)-a-methyl-)
889938-98-1 structure
Product Name:5-Isoxazolemethanol,3-(3-fluorophenyl)-a-methyl-
CAS No:889938-98-1
MF:C11H10FNO2
MW:207.201006412506
CID:714275
PubChem ID:22831988
Update Time:2025-04-19
5-Isoxazolemethanol,3-(3-fluorophenyl)-a-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolemethanol,3-(3-fluorophenyl)-a-methyl-
- 1-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]ethanol
- 5(1-HYDROXYETHYL)-3(3-FLUOROPHENYL)-ISOXAZOLE
- 5(1-hydroxyethyl)-3(3-fluorophenyl)isoxazole
- 1-[3-(3-Fluorophenyl)-1,2-oxazol-5-yl]ethan-1-ol
- MFCD08443689
- FT-0738700
- DTXSID30628554
- 1-(3-(3-Fluorophenyl)isoxazol-5-yl)ethanol
- 1-[3-(3-Fluoro-phenyl)-isoxaZol-5-yl]-ethanol
- SCHEMBL20162666
- 889938-98-1
-
- Inchi： 1S/C11H10FNO2/c1-7(14)11-6-10(13-15-11)8-3-2-4-9(12)5-8/h2-7,14H,1H3
- InChI Key： ASTLODQXKPDEBN-UHFFFAOYSA-N
- SMILES： FC1=CC=CC(=C1)C1C=C(C(C)O)ON=1
Computed Properties
- Exact Mass: 207.07000
- Monoisotopic Mass: 207.06955672g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 215
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 46.3?2
Experimental Properties
- Density: 1.248
- Boiling Point: 371.7°C at 760 mmHg
- Flash Point: 178.6°C
- Refractive Index: 1.542
- PSA: 46.26000
- LogP: 2.53400
5-Isoxazolemethanol,3-(3-fluorophenyl)-a-methyl- Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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