Cas no 229028-02-8 (Benzenemethanol,2-ethynyl-4-fluoro-)
229028-02-8 structure
Product Name:Benzenemethanol,2-ethynyl-4-fluoro-
CAS No:229028-02-8
MF:C9H7FO
MW:150.149686098099
CID:245176
PubChem ID:11008086
Update Time:2025-04-19
Benzenemethanol,2-ethynyl-4-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol,2-ethynyl-4-fluoro-
- Benzenemethanol, 2-ethynyl-4-fluoro- (9CI)
- (2-Ethynyl-4-fluorophenyl)methanol
- DTXSID50451609
- BENZENEMETHANOL, 2-ETHYNYL-4-FLUORO-
- 229028-02-8
-
- Inchi： 1S/C9H7FO/c1-2-7-5-9(10)4-3-8(7)6-11/h1,3-5,11H,6H2
- InChI Key： AUNFAUCCAPEMQU-UHFFFAOYSA-N
- SMILES： FC1C=CC(CO)=C(C#C)C=1
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-4-fluoro- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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