Cas no 608143-12-0 (4-bromo-8-iodoquinoline)
4-bromo-8-iodoquinoline structure
Product Name:4-bromo-8-iodoquinoline
CAS No:608143-12-0
MF:C9H5BrIN
MW:333.95117354393
CID:953574
PubChem ID:17986009
Update Time:2025-04-19
4-bromo-8-iodoquinoline Chemical and Physical Properties
Names and Identifiers
-
- 4-bromo-8-iodoquinoline
- Quinoline,4-bromo-8-iodo
- SCHEMBL5764170
- NTPIFVWREJZWBD-UHFFFAOYSA-N
- 608143-12-0
- DTXSID20591960
- SB72151
-
- MDL： MFCD08063208
- Inchi： 1S/C9H5BrIN/c10-7-4-5-12-9-6(7)2-1-3-8(9)11/h1-5H
- InChI Key： NTPIFVWREJZWBD-UHFFFAOYSA-N
- SMILES： IC1=CC=CC2=C(C=CN=C21)Br
Computed Properties
- Exact Mass: 332.86500
- Monoisotopic Mass: 332.86501g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 165
- 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: 3.5
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- PSA: 12.89000
- LogP: 3.60190
4-bromo-8-iodoquinoline Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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