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6-Bromo-4-chloro-2,8-dimethylquinoline , CAS No.1153002-90-4
Basic Description
Synonyms
6-Bromo-4-chloro-2,8-dimethylquinoline, AldrichCPR | SCHEMBL17502184 | EN300-83968 | AKOS009865827 | 1153002-90-4 | DTXSID30656296 | 6-Bromo-4-chloro-2,8-dimethylquinoline | SB68730 | MFCD12114952 | Quinoline, 6-bromo-4-chloro-2,8-dimethyl-
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
Chloroquinolines
Alternative Parents
Methylpyridines Benzenoids Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chloroquinoline - Methylpyridine - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
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
6-bromo-4-chloro-2,8-dimethylquinoline
INCHI
InChI=1S/C11H9BrClN/c1-6-3-8(12)5-9-10(13)4-7(2)14-11(6)9/h3-5H,1-2H3
InChIKey
YJTIVPXNBMXIJP-UHFFFAOYSA-N
Smiles
CC1=CC(=CC2=C(C=C(N=C12)C)Cl)Br
Isomeric SMILES
CC1=CC(=CC2=C(C=C(N=C12)C)Cl)Br
WGK Germany
3
Molecular Weight
270.55
Reaxy-Rn
29204834
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29204834&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
270.550 g/mol
XLogP3
4.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
268.961 Da
Monoisotopic Mass
268.961 Da
Topological Polar Surface Area
12.900 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
211.000
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
1
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