Cas no 2263-19-6 (4-Fluoro-2-octylphenol)
4-Fluoro-2-octylphenol structure
Product Name:4-Fluoro-2-octylphenol
CAS No:2263-19-6
MF:C14H21FO
MW:224.314347982407
CID:2836665
PubChem ID:71356893
Update Time:2025-04-21
4-Fluoro-2-octylphenol Chemical and Physical Properties
Names and Identifiers
-
- DTXSID40780995
- 2263-19-6
- 4-FLUORO-2-OCTYLPHENOL
- Phenol, 4-fluoro-2-octyl-
- 4-Fluoro-2-octylphenol
-
- Inchi： 1S/C14H21FO/c1-2-3-4-5-6-7-8-12-11-13(15)9-10-14(12)16/h9-11,16H,2-8H2,1H3
- InChI Key： CFDXJBMVQIDQTR-UHFFFAOYSA-N
- SMILES： FC1C=CC(=C(C=1)CCCCCCCC)O
Computed Properties
- Exact Mass: 224.157643451Da
- Monoisotopic Mass: 224.157643451Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 172
- 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: 5.7
- Topological Polar Surface Area: 20.2?2
4-Fluoro-2-octylphenol Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
-
Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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