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5-Bromo-6-methoxy-2-methylquinoline - 97%, high purity , CAS No.475682-39-4
Basic Description
Synonyms
EN300-23629661 | 5-BROMO-6-METHOXY-2-METHYLQUINOLINE | AKOS022889326 | 5-Bromo-6-methoxy-2-methylquinoline, 97% | UPDXSQFEBOHETE-UHFFFAOYSA-N | SCHEMBL1336745 | SB68633 | Z1486010559 | 5-bromo-2-methyl-6-methoxyquinoline
Specifications & Purity
≥97%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Haloquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Haloquinolines
Alternative Parents
Anisoles Methylpyridines Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Haloquinoline - Anisole - Phenol ether - Alkyl aryl ether - Methylpyridine - Aryl bromide - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Ether - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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
5-bromo-6-methoxy-2-methylquinoline
INCHI
InChI=1S/C11H10BrNO/c1-7-3-4-8-9(13-7)5-6-10(14-2)11(8)12/h3-6H,1-2H3
InChIKey
UPDXSQFEBOHETE-UHFFFAOYSA-N
Smiles
CC1=NC2=C(C=C1)C(=C(C=C2)OC)Br
Isomeric SMILES
CC1=NC2=C(C=C1)C(=C(C=C2)OC)Br
WGK Germany
3
Molecular Weight
252.11
Reaxy-Rn
9552633
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9552633&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
252.110 g/mol
XLogP3
3.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
250.995 Da
Monoisotopic Mass
250.995 Da
Topological Polar Surface Area
22.100 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
200.000
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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