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5,8-Dibromo-6-methoxyquinoline - 96%, high purity , CAS No.1187386-37-3
Discover 5,8-Dibromo-6-methoxyquinoline by Aladdin Scientific in 96% for only $1,566.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
5,8-DIBROMO-6-METHOXYQUINOLINE | 1187386-37-3 | DTXSID40675372 | MFCD12756472 | AKOS015835472 | SB72698 | BS-23311 | A892946
Specifications & Purity
≥96%
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
Anisoles Alkyl aryl ethers Pyridines and derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Haloquinoline - Anisole - Phenol ether - Alkyl aryl ether - 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
5,8-dibromo-6-methoxyquinoline
INCHI
InChI=1S/C10H7Br2NO/c1-14-8-5-7(11)10-6(9(8)12)3-2-4-13-10/h2-5H,1H3
InChIKey
WMNDQHFHVXYHJT-UHFFFAOYSA-N
Smiles
COC1=CC(=C2C(=C1Br)C=CC=N2)Br
Isomeric SMILES
COC1=CC(=C2C(=C1Br)C=CC=N2)Br
PubChem CID
46739789
Molecular Weight
317
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
316.980 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
316.887 Da
Monoisotopic Mass
314.889 Da
Topological Polar Surface Area
22.100 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
203.000
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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