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2-methyl-2H-indazole-4-carbonitrile - 97%, high purity , CAS No.1159511-45-1

COA

Grade & Purity:

≥97%

Cas Number: 1159511-45-1
Molecular Weight: 157.18
MDL number: MFCD12028579
PubChem CID: 44119254

In stock

Item Number

M627030

Grouped product items
SKU	Size	Availability	Price
M627030-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90
M627030-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$775.90
M627030-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,549.90

Basic Description

Synonyms	2-Methyl-2H-indazole-4-carbonitrile \| 1159511-45-1 \| 4-CYANO-2-METHYLINDAZOLE \| 2-methylindazole-4-carbonitrile \| 115951-14-9 \| SCHEMBL15808420 \| MFCD12028579 \| AKOS006317984 \| PB34681 \| BS-42804 \| CS-0055215 \| P11336 \| J-509932 \| W-204866
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 Pyrazoles Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indazole - Benzopyrazole - Benzenoid - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - 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	2-methylindazole-4-carbonitrile
INCHI	InChI=1S/C9H7N3/c1-12-6-8-7(5-10)3-2-4-9(8)11-12/h2-4,6H,1H3
InChIKey	IXVBGVWMIAYPNJ-UHFFFAOYSA-N
Smiles	CN1C=C2C(=N1)C=CC=C2C#N
Isomeric SMILES	CN1C=C2C(=N1)C=CC=C2C#N
PubChem CID	44119254
Molecular Weight	157.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	157.170 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	157.064 Da
Monoisotopic Mass	157.064 Da
Topological Polar Surface Area	41.600 Å²
Heavy Atom Count	12
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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