Cas no 1921-72-8 (2-Anthracenecarbonitrile)
2-Anthracenecarbonitrile structure
Product Name:2-Anthracenecarbonitrile
2-Anthracenecarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-Anthracenecarbonitrile
- anthracenecarbonitrile
- SCHEMBL2761110
- 2-cyanoanthracene
- anthracene-2-carbonitrile
- DTXSID60951448
- 1921-72-8
- 28805-75-6
-
- MDL： MFCD09999636
- Inchi： 1S/C15H9N/c16-10-11-5-6-14-8-12-3-1-2-4-13(12)9-15(14)7-11/h1-9H
- InChI Key： XOYSEKDQVVSNNB-UHFFFAOYSA-N
- SMILES： N#CC1C=CC2=CC3C=CC=CC=3C=C2C=1
Computed Properties
- Exact Mass: 203.07357
- Monoisotopic Mass: 203.073
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 300
- 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: 23.8A^2
Experimental Properties
- Density: 1.2
- Boiling Point: 413.8°C at 760 mmHg
- Flash Point: 205.4°C
- Refractive Index: 1.719
- PSA: 23.79
2-Anthracenecarbonitrile Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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