Cas no 647839-37-0 (4-Pentene-1,2,2-tricarbonitrile, 1-(6-chloro-3-pyridinyl)-)
647839-37-0 structure
Product Name:4-Pentene-1,2,2-tricarbonitrile, 1-(6-chloro-3-pyridinyl)-
CAS No:647839-37-0
MF:C13H9ClN4
MW:256.690360784531
CID:416896
PubChem ID:22185752
Update Time:2025-04-19
4-Pentene-1,2,2-tricarbonitrile, 1-(6-chloro-3-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pentene-1,2,2-tricarbonitrile, 1-(6-chloro-3-pyridinyl)-
- 1-(6-chloropyridin-3-yl)pent-4-ene-1,2,2-tricarbonitrile
- SCHEMBL5711857
- DTXSID80623372
- 1-(6-Chloro-3-pyridyl)-1,2,2-tricyano-4-pentene
- WRINAJGEUFCACM-UHFFFAOYSA-N
- 647839-37-0
-
- Inchi： 1S/C13H9ClN4/c1-2-5-13(8-16,9-17)11(6-15)10-3-4-12(14)18-7-10/h2-4,7,11H,1,5H2
- InChI Key： WRINAJGEUFCACM-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C=N1)C(C#N)C(C#N)(C#N)CC=C
Computed Properties
- Exact Mass: 256.05177
- Monoisotopic Mass: 256.0515740g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 441
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 84.3?2
Experimental Properties
- PSA: 84.26
4-Pentene-1,2,2-tricarbonitrile, 1-(6-chloro-3-pyridinyl)- Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
647839-37-0 (4-Pentene-1,2,2-tricarbonitrile, 1-(6-chloro-3-pyridinyl)-) Related Products
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