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Ethyl 5-methoxy-1H-indazole-3-carboxylate - ≥98%, high purity , CAS No.865887-16-7

COA

Grade & Purity:

≥98%

Cas Number: 865887-16-7
Molecular Weight: 220.22
PubChem CID: 34178662

In stock

Item Number

E731767

Grouped product items
SKU	Size	Availability	Price
E731767-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$34.90
E731767-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$76.90
E731767-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$266.90
E731767-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$858.90

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	Pyrazole carboxylic acids and derivatives Anisoles Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzopyrazole - Indazole - Anisole - Pyrazole-3-carboxylic acid or derivatives - Pyrazole-5-carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - 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	ethyl 5-methoxy-1H-indazole-3-carboxylate
INCHI	InChI=1S/C11H12N2O3/c1-3-16-11(14)10-8-6-7(15-2)4-5-9(8)12-13-10/h4-6H,3H2,1-2H3,(H,12,13)
InChIKey	LFWBFXSJXLTAIJ-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=NNC2=C1C=C(C=C2)OC
Isomeric SMILES	CCOC(=O)C1=NNC2=C1C=C(C=C2)OC
Alternate CAS	865887-16-7
PubChem CID	34178662
Molecular Weight	220.22

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	220.220 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	220.085 Da
Monoisotopic Mass	220.085 Da
Topological Polar Surface Area	64.200 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	260.000
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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