Cas no 7224-56-8 (2,3,5,6-tetrafluoro-4-iodobenzonitrile)
7224-56-8 structure
Product Name:2,3,5,6-tetrafluoro-4-iodobenzonitrile
CAS No:7224-56-8
MF:C7F4IN
MW:300.979687690735
CID:1753465
PubChem ID:5231648
Update Time:2025-04-21
2,3,5,6-tetrafluoro-4-iodobenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2,3,5,6-tetrafluoro-4-iodobenzonitrile
- 7224-56-8
- DTXSID70411841
-
- Inchi: 1S/C7F4IN/c8-3-2(1-13)4(9)6(11)7(12)5(3)10
- InChI Key: ZVHQBNGXXDOHJG-UHFFFAOYSA-N
- SMILES: IC1=C(C(=C(C#N)C(=C1F)F)F)F
Computed Properties
- Exact Mass: 300.9007
- Monoisotopic Mass: 300.90116g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 224
- 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: 2.7
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79
2,3,5,6-tetrafluoro-4-iodobenzonitrile Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
7224-56-8 (2,3,5,6-tetrafluoro-4-iodobenzonitrile) Related Products
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