Cas no 229028-01-7 (Benzenemethanol,2-ethynyl-5-fluoro-)
229028-01-7 structure
Product Name:Benzenemethanol,2-ethynyl-5-fluoro-
CAS No:229028-01-7
MF:C9H7FO
MW:150.149686098099
CID:245175
PubChem ID:15459097
Update Time:2025-04-19
Benzenemethanol,2-ethynyl-5-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol,2-ethynyl-5-fluoro-
- Benzenemethanol, 2-ethynyl-5-fluoro- (9CI)
- (2-ethynyl-5-fluorophenyl)Methanol
- 229028-01-7
- DTXSID90572968
-
- Inchi： 1S/C9H7FO/c1-2-7-3-4-9(10)5-8(7)6-11/h1,3-5,11H,6H2
- InChI Key： BOSPTBBSPUVOSE-UHFFFAOYSA-N
- SMILES： FC1C=CC(C#C)=C(C=1)CO
Computed Properties
- Exact Mass: 150.04811
- Monoisotopic Mass: 150.048093005g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 170
- 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: 1.4
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
- LogP: 1.29930
Benzenemethanol,2-ethynyl-5-fluoro- Related Literature
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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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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