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6-fluoro-1H-indole-5-carbonitrile - 97%, high purity , CAS No.1427358-21-1

COA

Grade & Purity:

≥97%

Cas Number: 1427358-21-1
Molecular Weight: 160.15
MDL number: MFCD23706318
PubChem CID: 91663900

In stock

Item Number

F629120

Grouped product items
SKU	Size	Availability	Price
F629120-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$109.90
F629120-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$219.90
F629120-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$339.90
F629120-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$489.90

Basic Description

Synonyms	6-fluoro-1H-indole-5-carbonitrile \| 1427358-21-1 \| SCHEMBL16858408 \| CHC35821 \| MFCD23706318 \| DS-7619
Specifications & Purity	≥97%
Shipped In	Normal

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	Benzenoids Aryl fluorides Pyrroles Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indole - Aryl fluoride - Aryl halide - Benzenoid - Heteroaromatic compound - Pyrrole - Carbonitrile - Nitrile - Azacycle - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Cyanide - 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	6-fluoro-1H-indole-5-carbonitrile
INCHI	InChI=1S/C9H5FN2/c10-8-4-9-6(1-2-12-9)3-7(8)5-11/h1-4,12H
InChIKey	HITOEBXXXWHQOR-UHFFFAOYSA-N
Smiles	C1=CNC2=CC(=C(C=C21)C#N)F
Isomeric SMILES	C1=CNC2=CC(=C(C=C21)C#N)F
PubChem CID	91663900
Molecular Weight	160.15

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	160.150 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	160.044 Da
Monoisotopic Mass	160.044 Da
Topological Polar Surface Area	39.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	220.000
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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