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4-fluoro-1H-indazole-6-carbonitrile - 97%, high purity , CAS No.1082041-49-3

COA

Grade & Purity:

≥97%

Cas Number: 1082041-49-3
Molecular Weight: 161.14
PubChem CID: 53399325

In stock

Item Number

F626785

Grouped product items
SKU	Size	Availability	Price
F626785-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$96.90
F626785-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$193.90
F626785-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$322.90
F626785-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$484.90
F626785-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,426.90

Basic Description

Synonyms	4-fluoro-1H-indazole-6-carbonitrile \| 1082041-49-3 \| MFCD11007865 \| 1h-indazole-6-carbonitrile,4-fluoro- \| AKOS006302540 \| PB39548 \| BS-43188 \| P18316
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrazoles
    - Subclass Indazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrazoles
Subclass	Indazoles
Intermediate Tree Nodes	Not available
Direct Parent	Indazoles
Alternative Parents	Benzenoids Aryl fluorides Pyrazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzopyrazole - Indazole - Aryl fluoride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Carbonitrile - Nitrile - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
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	4-fluoro-1H-indazole-6-carbonitrile
INCHI	InChI=1S/C8H4FN3/c9-7-1-5(3-10)2-8-6(7)4-11-12-8/h1-2,4H,(H,11,12)
InChIKey	BCQVWWDXMRSTJP-UHFFFAOYSA-N
Smiles	C1=C(C=C(C2=C1NN=C2)F)C#N
Isomeric SMILES	C1=C(C=C(C2=C1NN=C2)F)C#N
PubChem CID	53399325
Molecular Weight	161.14

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	161.140 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	161.039 Da
Monoisotopic Mass	161.039 Da
Topological Polar Surface Area	52.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	222.000
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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