Cas no 80587-76-4 (1,3,5-TRIAZINE-2,4-DICARBONITRILE, 6-CHLORO-)
80587-76-4 structure
Product Name:1,3,5-TRIAZINE-2,4-DICARBONITRILE, 6-CHLORO-
CAS No:80587-76-4
MF:C5ClN5
MW:165.539998054504
CID:3185629
PubChem ID:53940165
Update Time:2025-04-21
1,3,5-TRIAZINE-2,4-DICARBONITRILE, 6-CHLORO- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-TRIAZINE-2,4-DICARBONITRILE, 6-CHLORO-
- 80587-76-4
- DB-156037
- 6-Chloro-1,3,5-triazine-2,4-dicarbonitrile
- SCHEMBL9621851
-
- Inchi: 1S/C5ClN5/c6-5-10-3(1-7)9-4(2-8)11-5
- InChI Key: IXFRMEBPAAQQCJ-UHFFFAOYSA-N
- SMILES: ClC1=NC(C#N)=NC(C#N)=N1
Computed Properties
- Exact Mass: 164.9842227Da
- Monoisotopic Mass: 164.9842227Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 210
- 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: 1
- Topological Polar Surface Area: 86.3?2
1,3,5-TRIAZINE-2,4-DICARBONITRILE, 6-CHLORO- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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