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methyl 7-(trifluoromethyl)-1H-indazole-5-carboxylate - 97%, high purity , CAS No.1374258-44-2

COA

Grade & Purity:

≥97%

Cas Number: 1374258-44-2
Molecular Weight: 244.17
PubChem CID: 67491553

In stock

Item Number

M628683

Grouped product items
SKU	Size	Availability	Price
M628683-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$163.90
M628683-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$261.90
M628683-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$435.90
M628683-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$653.90
M628683-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,271.90

Basic Description

Synonyms	METHYL 7-(TRIFLUOROMETHYL)-1H-INDAZOLE-5-CARBOXYLATE \| 1374258-44-2 \| SCHEMBL2671481 \| MFCD25542316 \| SB16238 \| BS-42955 \| CS-0445648 \| Methyl 7-(trifluoromethyl)-2H-indazole-5-carboxylate \| METHYL7-(TRIFLUOROMETHYL)-1H-INDAZOLE-5-CARBOXYLATE
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	Fatty acid esters Benzenoids Pyrazoles Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indazole - Benzopyrazole - Fatty acid ester - Fatty acyl - Benzenoid - Heteroaromatic compound - Methyl ester - Pyrazole - Azole - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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	methyl 7-(trifluoromethyl)-1H-indazole-5-carboxylate
INCHI	InChI=1S/C10H7F3N2O2/c1-17-9(16)5-2-6-4-14-15-8(6)7(3-5)10(11,12)13/h2-4H,1H3,(H,14,15)
InChIKey	GTMRDKCXGHWYDB-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC2=C(C(=C1)C(F)(F)F)NN=C2
Isomeric SMILES	COC(=O)C1=CC2=C(C(=C1)C(F)(F)F)NN=C2
PubChem CID	67491553
Molecular Weight	244.17

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	244.170 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	244.046 Da
Monoisotopic Mass	244.046 Da
Topological Polar Surface Area	55.000 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	308.000
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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