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3-Iodo-4-methyl-1H-indazole - 97%, high purity , CAS No.885522-63-4

COA

Grade & Purity:

≥97%

Cas Number: 885522-63-4
Molecular Weight: 258.1
PubChem CID: 24728823

In stock

Item Number

I187694

Grouped product items
SKU	Size	Availability	Price	Qty
I187694-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$87.90
I187694-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$348.90

Discover 3-Iodo-4-methyl-1H-indazole by Aladdin Scientific in 97% for only $87.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	3-Iodo-4-methyl-1H-indazole \| 885522-63-4 \| 3-iodo-4-methyl-2H-indazole \| 1H-Indazole,3-iodo-4-methyl- \| 3-Iodo-4-methyl (1H)indazole \| SCHEMBL14631680 \| DTXSID50646518 \| MFCD07781537 \| AKOS006221205 \| AB42686 \| 2-ETHOXY-3-BROMO-5-NITROPYRIDINE \| AM804493 \| AS-54847 \| 3-Iodo-4-met
Specifications & Purity	≥97%
Storage Temp	Room temperature
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 iodides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzopyrazole - Indazole - Aryl halide - Aryl iodide - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Organoiodide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen 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	3-iodo-4-methyl-2H-indazole
INCHI	InChI=1S/C8H7IN2/c1-5-3-2-4-6-7(5)8(9)11-10-6/h2-4H,1H3,(H,10,11)
InChIKey	PXSVQQMMVAVJNA-UHFFFAOYSA-N
Smiles	CC1=CC=CC2=NNC(=C12)I
Isomeric SMILES	CC1=CC=CC2=NNC(=C12)I
PubChem CID	24728823
Molecular Weight	258.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	258.060 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	257.965 Da
Monoisotopic Mass	257.965 Da
Topological Polar Surface Area	28.700 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	151.000
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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