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6-Bromo-2-methoxy-4-methylquinoline - 98%, high purity , CAS No.1187386-12-4
Discover 6-Bromo-2-methoxy-4-methylquinoline by Aladdin Scientific in 98% for only $2,741.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
6-BROMO-2-METHOXY-4-METHYLQUINOLINE | 1187386-12-4 | SCHEMBL1224169 | DTXSID10674993 | MFCD12756430 | AKOS015834564 | SB69002 | BS-23422 | CS-0211907
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Quinolones and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Quinolones and derivatives
Alternative Parents
Haloquinolines Methylpyridines Alkyl aryl ethers Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Haloquinoline - Quinolone - Alkyl aryl ether - Methylpyridine - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinolones and derivatives. These are compounds containing a quinoline moiety which bears a ketone group.
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-2-methoxy-4-methylquinoline
INCHI
InChI=1S/C11H10BrNO/c1-7-5-11(14-2)13-10-4-3-8(12)6-9(7)10/h3-6H,1-2H3
InChIKey
RWIMTGNHIFFBGY-UHFFFAOYSA-N
Smiles
CC1=CC(=NC2=C1C=C(C=C2)Br)OC
Isomeric SMILES
CC1=CC(=NC2=C1C=C(C=C2)Br)OC
Molecular Weight
252.1
Reaxy-Rn
20887329
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20887329&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
252.110 g/mol
XLogP3
3.600
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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