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3-Bromo-4-hydroxy-2-trifluoromethylquinoline - 98%, high purity , CAS No.59108-47-3
Basic Description
Synonyms
59108-47-3 | 3-bromo-2-(trifluoromethyl)quinolin-4-ol | 3-bromo-4-hydroxy-2-trifluoromethylquinoline | 3-Bromo-4-hydroxy-2-(trifluoromethyl)quinoline | 3-bromo-2-(trifluoromethyl)-1H-quinolin-4-one | DTXSID10382349 | MFCD03407378 | AKOS015834389 | PS-7170 | SB68610 | CS-0211
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
Hydroquinolones
Alternative Parents
Haloquinolines Hydroquinolines Pyridines and derivatives Aryl bromides Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organobromides Organofluorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Haloquinoline - Dihydroquinolone - Dihydroquinoline - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing 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
3-bromo-2-(trifluoromethyl)-1H-quinolin-4-one
INCHI
InChI=1S/C10H5BrF3NO/c11-7-8(16)5-3-1-2-4-6(5)15-9(7)10(12,13)14/h1-4H,(H,15,16)
InChIKey
SOBOSNAIPXNQLT-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C(=O)C(=C(N2)C(F)(F)F)Br
Isomeric SMILES
C1=CC=C2C(=C1)C(=O)C(=C(N2)C(F)(F)F)Br
PubChem CID
2782909
Molecular Weight
292.1
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
292.050 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Exact Mass
290.951 Da
Monoisotopic Mass
290.951 Da
Topological Polar Surface Area
29.100 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
350.000
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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