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3,4-Dichloro-7-methoxyquinoline , CAS No.1204810-57-0
Discover 3,4-Dichloro-7-methoxyquinoline by Aladdin Scientific in for only $263.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1204810-57-0 | SCHEMBL20480283 | 3,4-Dichloro-7-methoxyquinoline | DTXSID10671164 | SB71603 | 3,4-Dichloro-7-methoxyquinoline, AldrichCPR | MFCD13192953
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
Polyhalopyridines Anisoles Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chloroquinoline - Anisole - Polyhalopyridine - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Ether - Organochloride - 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 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
3,4-dichloro-7-methoxyquinoline
INCHI
InChI=1S/C10H7Cl2NO/c1-14-6-2-3-7-9(4-6)13-5-8(11)10(7)12/h2-5H,1H3
InChIKey
UJIHLIZYHGVCSR-UHFFFAOYSA-N
Smiles
COC1=CC2=NC=C(C(=C2C=C1)Cl)Cl
Isomeric SMILES
COC1=CC2=NC=C(C(=C2C=C1)Cl)Cl
WGK Germany
3
Molecular Weight
228.07
Reaxy-Rn
38748389
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38748389&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
228.070 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
226.99 Da
Monoisotopic Mass
226.99 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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