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tert-Butyl 6-(benzyloxy)-4-fluoro-1H-indazole-1-carboxylate - ≥95%, high purity , CAS No.1253789-02-4

COA

Grade & Purity:

≥95%

Cas Number: 1253789-02-4
Molecular Weight: 342.37
PubChem CID: 70700735

In stock

Item Number

T734802

Grouped product items
SKU	Size	Availability	Price	Qty
T734802-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$526.90

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 Phenol ethers Alkyl aryl ethers Benzene and substituted derivatives Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzopyrazole - Indazole - Phenol ether - Pyrazole-1-carboxylic acid or derivatives - Alkyl aryl ether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Ether - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen 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	tert-butyl 4-fluoro-6-phenylmethoxyindazole-1-carboxylate
INCHI	InChI=1S/C19H19FN2O3/c1-19(2,3)25-18(23)22-17-10-14(9-16(20)15(17)11-21-22)24-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
InChIKey	AEEAXDCVECAIPT-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1C2=C(C=N1)C(=CC(=C2)OCC3=CC=CC=C3)F
Isomeric SMILES	CC(C)(C)OC(=O)N1C2=C(C=N1)C(=CC(=C2)OCC3=CC=CC=C3)F
PubChem CID	70700735
Molecular Weight	342.37

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	342.400 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	342.138 Da
Monoisotopic Mass	342.138 Da
Topological Polar Surface Area	53.400 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	462.000
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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