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6-(Trifluoromethoxy)quinoline - 97%, high purity , CAS No.212695-45-9
Discover 6-(Trifluoromethoxy)quinoline by Aladdin Scientific in 97% for only $894.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
6-(TRIFLUOROMETHOXY)QUINOLINE | 212695-45-9 | 6-Trifluoromethoxy-quinoline | SCHEMBL2722588 | DTXSID10573992 | MFCD11855894 | AKOS015852965 | SB69999 | BS-23412 | CS-0080667 | D74242 | A879173
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Quinolines and derivatives
Alternative Parents
Phenol ethers Pyridines and derivatives Heteroaromatic compounds Trihalomethanes Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline - Phenol ether - Pyridine - Benzenoid - Heteroaromatic compound - Trihalomethane - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
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-(trifluoromethoxy)quinoline
INCHI
InChI=1S/C10H6F3NO/c11-10(12,13)15-8-3-4-9-7(6-8)2-1-5-14-9/h1-6H
InChIKey
PYRLDVVMVBKTTQ-UHFFFAOYSA-N
Smiles
C1=CC2=C(C=CC(=C2)OC(F)(F)F)N=C1
Isomeric SMILES
C1=CC2=C(C=CC(=C2)OC(F)(F)F)N=C1
PubChem CID
15550357
Molecular Weight
213.2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
213.160 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
213.04 Da
Monoisotopic Mass
213.04 Da
Topological Polar Surface Area
22.100 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
219.000
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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