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8-Fluoroquinoline HCl - 98%, high purity , CAS No.311346-65-3
Basic Description
Synonyms
8-Fluoroquinoline hydrochloride | 311346-65-3 | 8-Fluoroquinoline HCl | 8-fluoroquinoline;hydrochloride | 8-Fluoroquinolinehydrochloride | DTXSID80682424 | MFCD15143626 | AKOS015897406 | SB67629 | BS-27770 | 8-Fluoroquinoline--hydrogen chloride (1/1) | CS-0211102
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Haloquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Haloquinolines
Alternative Parents
Pyridines and derivatives Benzenoids Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Haloquinoline - Benzenoid - Pyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
8-fluoroquinoline;hydrochloride
INCHI
InChI=1S/C9H6FN.ClH/c10-8-5-1-3-7-4-2-6-11-9(7)8;/h1-6H;1H
InChIKey
OLMMLDGKOACPHX-UHFFFAOYSA-N
Smiles
C1=CC2=C(C(=C1)F)N=CC=C2.Cl
Isomeric SMILES
C1=CC2=C(C(=C1)F)N=CC=C2.Cl
PubChem CID
53217381
Molecular Weight
183.6
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
183.610 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
183.025 Da
Monoisotopic Mass
183.025 Da
Topological Polar Surface Area
12.900 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
138.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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