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7-(Trifluoromethyl)quinoline-3-carboxylic acid - 97%, high purity , CAS No.71082-51-4

COA

Grade & Purity:

≥97%

Cas Number: 71082-51-4
Molecular Weight: 241.17
PubChem CID: 33778264

In stock

Item Number

T194716

Grouped product items
SKU	Size	Availability	Price	Qty
T194716-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90
T194716-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$130.90

Basic Description

Synonyms	7-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID \| 71082-51-4 \| MFCD11042923 \| SCHEMBL22376 \| CHEMBL3228134 \| DTXSID70652878 \| AKOS015852928 \| DS-0604 \| FS-2883 \| SB71621 \| SY105087 \| CS-0156838 \| FT-0645488 \| A837068 \| J-519053
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Quinoline carboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Quinoline carboxylic acids
Intermediate Tree Nodes	Not available
Direct Parent	Quinoline carboxylic acids
Alternative Parents	Pyridinecarboxylic acids Benzenoids Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinoline-3-carboxylic acid - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine - Benzenoid - Heteroaromatic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - 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 quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	7-(trifluoromethyl)quinoline-3-carboxylic acid
INCHI	InChI=1S/C11H6F3NO2/c12-11(13,14)8-2-1-6-3-7(10(16)17)5-15-9(6)4-8/h1-5H,(H,16,17)
InChIKey	YPYGOIBPYXRZJA-UHFFFAOYSA-N
Smiles	C1=CC(=CC2=NC=C(C=C21)C(=O)O)C(F)(F)F
Isomeric SMILES	C1=CC(=CC2=NC=C(C=C21)C(=O)O)C(F)(F)F
PubChem CID	33778264
Molecular Weight	241.17

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	241.170 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	241.035 Da
Monoisotopic Mass	241.035 Da
Topological Polar Surface Area	50.200 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	306.000
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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