Cas no 104716-75-8 (Phenol, 2-fluoro-4-(iodomethyl)-6-methoxy-)
104716-75-8 structure
Product Name:Phenol, 2-fluoro-4-(iodomethyl)-6-methoxy-
CAS No:104716-75-8
MF:C8H8FIO2
MW:282.050798416138
CID:1149186
PubChem ID:71333296
Update Time:2025-04-20
Phenol, 2-fluoro-4-(iodomethyl)-6-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-fluoro-4-(iodomethyl)-6-methoxy-
- 2-fluoro-4-(iodomethyl)-6-methoxyphenol
- DTXSID20761580
- 104716-75-8
-
- Inchi： 1S/C8H8FIO2/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-3,11H,4H2,1H3
- InChI Key： RHWGORYYMHKAJC-UHFFFAOYSA-N
- SMILES： ICC1C=C(C(=C(C=1)OC)O)F
Computed Properties
- Exact Mass: 281.95484
- Monoisotopic Mass: 281.95531g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 145
- 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: 2.6
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46
- LogP: 2.47490
Phenol, 2-fluoro-4-(iodomethyl)-6-methoxy- Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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