Cas no 357404-55-8 (Benzonitrile,5-fluoro-2-hydroxy-4-methyl-)
357404-55-8 structure
Product Name:Benzonitrile,5-fluoro-2-hydroxy-4-methyl-
CAS No:357404-55-8
MF:C8H6FNO
MW:151.137745380402
CID:303215
Update Time:2024-01-27
Benzonitrile,5-fluoro-2-hydroxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,5-fluoro-2-hydroxy-4-methyl-
- Benzonitrile, 5-fluoro-2-hydroxy-4-methyl- (9CI)
- 5-Fluoro-2-hydroxy-4-methylbenzonitrile
-
- Inchi： 1S/C8H6FNO/c1-5-2-8(11)6(4-10)3-7(5)9/h2-3,11H,1H3
- InChI Key： YJRQHGRZANYDEW-UHFFFAOYSA-N
- SMILES： C(#N)C1=CC(F)=C(C)C=C1O
Computed Properties
- Exact Mass: 151.04338
- Monoisotopic Mass: 151.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 186
- 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
- Topological Polar Surface Area: 44A^2
Experimental Properties
- PSA: 44.02
Benzonitrile,5-fluoro-2-hydroxy-4-methyl- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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