Cas no 848841-53-2 (4,7'-Biisoquinoline, 1-chloro-)
848841-53-2 structure
Product Name:4,7'-Biisoquinoline, 1-chloro-
CAS No:848841-53-2
MF:C18H11ClN2
MW:290.746342897415
CID:1832756
PubChem ID:57354361
Update Time:2025-04-21
4,7'-Biisoquinoline, 1-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 4,7'-Biisoquinoline, 1-chloro-
- 1-chloro-4-isoquinolin-7-ylisoquinoline
- 1-Chloro-[4,7']biisoquinolinyl
- SCHEMBL5526387
- SLAIKCMANHDXFQ-UHFFFAOYSA-N
- 1-Chloro-4,7'-biisoquinoline
- 848841-53-2
- DTXSID40722678
-
- Inchi： 1S/C18H11ClN2/c19-18-16-4-2-1-3-15(16)17(11-21-18)13-6-5-12-7-8-20-10-14(12)9-13/h1-11H
- InChI Key： SLAIKCMANHDXFQ-UHFFFAOYSA-N
- SMILES： ClC1=C2C=CC=CC2=C(C=N1)C1=CC=C2C=CN=CC2=C1
Computed Properties
- Exact Mass: 290.0610761g/mol
- Monoisotopic Mass: 290.0610761g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 361
- 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: 4.9
- Topological Polar Surface Area: 25.8?2
4,7'-Biisoquinoline, 1-chloro- Related Literature
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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
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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