Cas no 874817-33-1 (2-Naphthalenecarbonitrile, 5,6,7-trifluoro-)
874817-33-1 structure
Product Name:2-Naphthalenecarbonitrile, 5,6,7-trifluoro-
CAS No:874817-33-1
MF:C11H4F3N
MW:207.151372909546
CID:582325
PubChem ID:71405820
Update Time:2025-04-19
2-Naphthalenecarbonitrile, 5,6,7-trifluoro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarbonitrile, 5,6,7-trifluoro-
- 5,6,7-trifluoronaphthalene-2-carbonitrile
- SCHEMBL17783296
- DTXSID30826452
- 874817-33-1
-
- Inchi： 1S/C11H4F3N/c12-9-4-7-3-6(5-15)1-2-8(7)10(13)11(9)14/h1-4H
- InChI Key： XYIHEFLVUNNGHS-UHFFFAOYSA-N
- SMILES： FC1C(=C(C=C2C=C(C#N)C=CC2=1)F)F
Computed Properties
- Exact Mass: 207.02958362g/mol
- Monoisotopic Mass: 207.02958362g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 285
- 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: 3.2
- Topological Polar Surface Area: 23.8?2
2-Naphthalenecarbonitrile, 5,6,7-trifluoro- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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