Cas no 440105-59-9 (Benzonitrile,2-fluoro-4-(1-hydroxyethyl)-)
440105-59-9 structure
Product Name:Benzonitrile,2-fluoro-4-(1-hydroxyethyl)-
CAS No:440105-59-9
MF:C9H8FNO
MW:165.164325714111
CID:327306
PubChem ID:11084231
Update Time:2025-04-19
Benzonitrile,2-fluoro-4-(1-hydroxyethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,2-fluoro-4-(1-hydroxyethyl)-
- Benzonitrile, 2-fluoro-4-(1-hydroxyethyl)- (9CI)
- AKOS006314911
- 1-(4-cyano-3-fluorophenyl)ethanol
- RPLAOBQEYAQRNN-UHFFFAOYSA-N
- SCHEMBL7715291
- 440105-59-9
- 2-fluoro-4-(1-hydroxyethyl)benzonitrile
- DTXSID901280367
-
- Inchi： 1S/C9H8FNO/c1-6(12)7-2-3-8(5-11)9(10)4-7/h2-4,6,12H,1H3
- InChI Key： RPLAOBQEYAQRNN-UHFFFAOYSA-N
- SMILES： FC1=C(C#N)C=CC(=C1)C(C)O
Computed Properties
- Exact Mass: 165.058992041g/mol
- Monoisotopic Mass: 165.058992041g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 198
- 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: 1.3
- Topological Polar Surface Area: 44?2
Benzonitrile,2-fluoro-4-(1-hydroxyethyl)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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