Cas no 119812-01-0 (Ethenetricarbonitrile, 2,2'-(1,4-phenylene)bis-)
119812-01-0 structure
Product Name:Ethenetricarbonitrile, 2,2'-(1,4-phenylene)bis-
CAS No:119812-01-0
MF:C16H4N6
MW:280.243161201477
CID:1208711
PubChem ID:14289902
Update Time:2025-04-20
Ethenetricarbonitrile, 2,2'-(1,4-phenylene)bis- Chemical and Physical Properties
Names and Identifiers
-
- Ethenetricarbonitrile, 2,2'-(1,4-phenylene)bis-
- 2-[4-(1,2,2-tricyanoethenyl)phenyl]ethene-1,1,2-tricarbonitrile
- 119812-01-0
- 2,2'-(1,4-Phenylene)di(ethene-1,1,2-tricarbonitrile)
- DTXSID40558499
-
- Inchi： 1S/C16H4N6/c17-5-13(6-18)15(9-21)11-1-2-12(4-3-11)16(10-22)14(7-19)8-20/h1-4H
- InChI Key： STTDGCQKCNKOKT-UHFFFAOYSA-N
- SMILES： N#C/C(=C(/C#N)\C#N)/C1C=CC(/C(/C#N)=C(\C#N)/C#N)=CC=1
Computed Properties
- Exact Mass: 280.04974415g/mol
- Monoisotopic Mass: 280.04974415g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 727
- 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: 1.1
- Topological Polar Surface Area: 143?2
Ethenetricarbonitrile, 2,2'-(1,4-phenylene)bis- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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