Cas no 117162-36-4 (1,2,4,5-tetrafluoro-3-iodo-6-phenoxybenzene)
117162-36-4 structure
Product Name:1,2,4,5-tetrafluoro-3-iodo-6-phenoxybenzene
CAS No:117162-36-4
MF:C12H5F4IO
MW:368.065589666367
CID:2615173
PubChem ID:71339321
Update Time:2025-04-21
1,2,4,5-tetrafluoro-3-iodo-6-phenoxybenzene Chemical and Physical Properties
Names and Identifiers
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- 1,2,4,5-tetrafluoro-3-iodo-6-phenoxybenzene
- 117162-36-4
- DTXCID80717523
- DTXSID50766780
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- Inchi： 1S/C12H5F4IO/c13-7-9(15)12(10(16)8(14)11(7)17)18-6-4-2-1-3-5-6/h1-5H
- InChI Key： AHWOKWCJSAWEPI-UHFFFAOYSA-N
- SMILES： IC1=C(C(=C(C(=C1F)F)OC1C=CC=CC=1)F)F
Computed Properties
- Exact Mass: 367.93213Da
- Monoisotopic Mass: 367.93213Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 259
- 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: 4.5
- Topological Polar Surface Area: 9.2?2
1,2,4,5-tetrafluoro-3-iodo-6-phenoxybenzene Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
117162-36-4 (1,2,4,5-tetrafluoro-3-iodo-6-phenoxybenzene) Related Products
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