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2-Chloro-6-ethoxyquinoline-3-methanol - Reagent Grade, high purity , CAS No.333408-52-9
Basic Description
Synonyms
MFCD02741774 | Oprea1_766516 | 2-Chloro-6-ethoxyquinoline-3-methanol, AldrichCPR | Oprea1_146445 | (2-chloro-6-ethoxyquinolin-3-yl)methanol | AKOS000731943 | DTXSID10357714 | 2-Chloro-6-ethoxyquinoline-3-methanol
Specifications & Purity
Reagent grade
Legal Information
Product of BioBlocks
Grade
Reagent Grade
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Haloquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Chloroquinolines
Alternative Parents
Alkyl aryl ethers 2-halopyridines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chloroquinoline - Alkyl aryl ether - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - 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
(2-chloro-6-ethoxyquinolin-3-yl)methanol
INCHI
InChI=1S/C12H12ClNO2/c1-2-16-10-3-4-11-8(6-10)5-9(7-15)12(13)14-11/h3-6,15H,2,7H2,1H3
InChIKey
RTHYLIJSULORHP-UHFFFAOYSA-N
Smiles
CCOC1=CC2=CC(=C(N=C2C=C1)Cl)CO
Isomeric SMILES
CCOC1=CC2=CC(=C(N=C2C=C1)Cl)CO
WGK Germany
3
Molecular Weight
237.68
Reaxy-Rn
19382545
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19382545&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
237.680 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
237.056 Da
Monoisotopic Mass
237.056 Da
Topological Polar Surface Area
42.400 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
227.000
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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