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2-(5-Nitro-1H-indazol-1-yl)ethanol - ≥98%, high purity , CAS No.1056619-14-7

COA

Grade & Purity:

≥98%

Cas Number: 1056619-14-7
Molecular Weight: 207.18
PubChem CID: 46835744

In stock

Item Number

E732847

Grouped product items
SKU	Size	Availability	Price	Qty
E732847-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$163.90
E732847-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$327.90

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	Nitroaromatic compounds Benzenoids Pyrazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Alkanolamines Primary alcohols Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzopyrazole - Indazole - Nitroaromatic compound - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Alkanolamine - Organic oxoazanium - Organic zwitterion - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - 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-(5-nitroindazol-1-yl)ethanol
INCHI	InChI=1S/C9H9N3O3/c13-4-3-11-9-2-1-8(12(14)15)5-7(9)6-10-11/h1-2,5-6,13H,3-4H2
InChIKey	ARJLAPREGBZGMU-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1[N+](=O)[O-])C=NN2CCO
Isomeric SMILES	C1=CC2=C(C=C1[N+](=O)[O-])C=NN2CCO
PubChem CID	46835744
Molecular Weight	207.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	207.190 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	207.064 Da
Monoisotopic Mass	207.064 Da
Topological Polar Surface Area	83.900 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	243.000
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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