Cas no 90141-80-3 (Cinnoline, 4-(4-chlorophenyl)-)
90141-80-3 structure
Product Name:Cinnoline, 4-(4-chlorophenyl)-
CAS No:90141-80-3
MF:C14H9ClN2
MW:240.687661886215
CID:793321
PubChem ID:15585566
Update Time:2025-04-19
Cinnoline, 4-(4-chlorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Cinnoline, 4-(4-chlorophenyl)-
- 4-(4-chlorophenyl)cinnoline
- 90141-80-3
- DTXSID20575109
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- Inchi： 1S/C14H9ClN2/c15-11-7-5-10(6-8-11)13-9-16-17-14-4-2-1-3-12(13)14/h1-9H
- InChI Key： XTLPGFRLUHETPN-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C1=CN=NC2C=CC=CC1=2
Computed Properties
- Exact Mass: 240.0454260g/mol
- Monoisotopic Mass: 240.0454260g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 251
- 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: 3.4
- Topological Polar Surface Area: 25.8?2
Cinnoline, 4-(4-chlorophenyl)- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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