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2，2，2-trifluoro-1-(1H-indol-5-yl)ethanone - ≥95%, high purity , CAS No.170366-90-2

COA

Grade & Purity:

≥95%

Cas Number: 170366-90-2
Molecular Weight: 213.16
PubChem CID: 45081109

In stock

Item Number

T732410

Grouped product items
SKU	Size	Availability	Price
T732410-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$268.90
T732410-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$437.90
T732410-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$745.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indoles
Intermediate Tree Nodes	Not available
Direct Parent	Indoles
Alternative Parents	Aryl alkyl ketones Benzenoids Pyrroles Heteroaromatic compounds Alpha-haloketones Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indole - Aryl alkyl ketone - Aryl ketone - Benzenoid - Alpha-haloketone - Pyrrole - Heteroaromatic compound - Ketone - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
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

Names and Identifiers

IUPAC Name	2,2,2-trifluoro-1-(1H-indol-5-yl)ethanone
INCHI	InChI=1S/C10H6F3NO/c11-10(12,13)9(15)7-1-2-8-6(5-7)3-4-14-8/h1-5,14H
InChIKey	BEAXZGXRMVALGL-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=CN2)C=C1C(=O)C(F)(F)F
Isomeric SMILES	C1=CC2=C(C=CN2)C=C1C(=O)C(F)(F)F
PubChem CID	45081109
Molecular Weight	213.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	213.160 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	213.04 Da
Monoisotopic Mass	213.04 Da
Topological Polar Surface Area	32.900 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	264.000
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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