Cas no 6563-10-6 (Quinoline, 6-chloro-, 1-oxide)
Quinoline, 6-chloro-, 1-oxide structure
Product Name:Quinoline, 6-chloro-, 1-oxide
CAS No:6563-10-6
MF:C9H6ClNO
MW:179.603041172028
CID:397776
PubChem ID:12378925
Update Time:2025-04-19
Quinoline, 6-chloro-, 1-oxide Chemical and Physical Properties
Names and Identifiers
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- Quinoline, 6-chloro-, 1-oxide
- 6-chloro-1-oxidoquinolin-1-ium
- 6563-10-6
- DTXSID00495316
- IQHMUMWHRMAAAF-UHFFFAOYSA-N
- 6-Chloro-1-oxo-1lambda~5~-quinoline
- SCHEMBL1826895
- 6-chloroquinoline 1-oxide
- 6-chloroquinoline N-oxide
-
- Inchi： 1S/C9H6ClNO/c10-8-3-4-9-7(6-8)2-1-5-11(9)12/h1-6H
- InChI Key： IQHMUMWHRMAAAF-UHFFFAOYSA-N
- SMILES： ClC1C=CC2C(=CC=C[N+]=2[O-])C=1
Computed Properties
- Exact Mass: 179.01388
- Monoisotopic Mass: 179.0137915g/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: 1.2
- Topological Polar Surface Area: 25.5?2
Experimental Properties
- PSA: 26.94
Quinoline, 6-chloro-, 1-oxide Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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