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1-(1-Methyl-1H-indazol-6-yl)ethanone - ≥95%, high purity , CAS No.1159511-25-7

COA

Grade & Purity:

≥95%

Cas Number: 1159511-25-7
Molecular Weight: 174.2
PubChem CID: 44119226

In stock

Item Number

E732012

Grouped product items
SKU	Size	Availability	Price
E732012-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$89.90
E732012-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$221.90
E732012-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$769.90

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	Acetophenones Aryl alkyl ketones Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Acetophenone - Benzopyrazole - Indazole - Aryl ketone - Aryl alkyl ketone - Benzenoid - Heteroaromatic compound - Pyrazole - Azole - Ketone - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen 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	1-(1-methylindazol-6-yl)ethanone
INCHI	InChI=1S/C10H10N2O/c1-7(13)8-3-4-9-6-11-12(2)10(9)5-8/h3-6H,1-2H3
InChIKey	TWEFAZURHNZEOD-UHFFFAOYSA-N
Smiles	CC(=O)C1=CC2=C(C=C1)C=NN2C
Isomeric SMILES	CC(=O)C1=CC2=C(C=C1)C=NN2C
PubChem CID	44119226
Molecular Weight	174.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	174.200 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	174.079 Da
Monoisotopic Mass	174.079 Da
Topological Polar Surface Area	34.900 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	217.000
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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