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1-(tert-Butoxycarbonyl)-5-fluoro-1H-indazole-3-carboxylic acid - ≥95%, high purity , CAS No.886368-29-2

COA

Grade & Purity:

≥95%

Cas Number: 886368-29-2
PubChem CID: 40424307

In stock

Item Number

F731838

Grouped product items
SKU	Size	Availability	Price
F731838-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,079.90
F731838-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,853.90
F731838-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,753.90

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 Benzenoids Aryl fluorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzopyrazole - Indazole - Pyrazole-1-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Pyrazole-5-carboxylic acid or derivatives - Aryl fluoride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen 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	5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indazole-3-carboxylic acid
INCHI	InChI=1S/C13H13FN2O4/c1-13(2,3)20-12(19)16-9-5-4-7(14)6-8(9)10(15-16)11(17)18/h4-6H,1-3H3,(H,17,18)
InChIKey	OMQIWLDKTZMYOS-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)F)C(=N1)C(=O)O
Isomeric SMILES	CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)F)C(=N1)C(=O)O
Alternate CAS	886368-29-2
PubChem CID	40424307

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	280.250 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	280.086 Da
Monoisotopic Mass	280.086 Da
Topological Polar Surface Area	81.400 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	410.000
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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