Cas no 18713-36-5 (Naphthalene-1,3-dicarbonitrile)
18713-36-5 structure
Product Name:Naphthalene-1,3-dicarbonitrile
CAS No:18713-36-5
MF:C12H6N2
MW:178.189442157745
CID:2785471
Update Time:2023-08-07
Naphthalene-1,3-dicarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- naphthalene-1,3-dicarbonitrile
- 1,3-Dicyanonaphthalene
- 1,3-Naphthalenedicarbonitrile
- Naphthalene-1,3-dicarbonitrile
-
- Inchi： 1S/C12H6N2/c13-7-9-5-10-3-1-2-4-12(10)11(6-9)8-14/h1-6H
- InChI Key： CMDWPFFYPYYSEO-UHFFFAOYSA-N
- SMILES： N#CC1C=C(C#N)C=C2C=CC=CC2=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 303
- XLogP3: 2.1
- Topological Polar Surface Area: 47.6
Naphthalene-1,3-dicarbonitrile Related Literature
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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