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tert-Butyl 4-(5-bromo-1H-indazol-3-yl)piperidine-1-carboxylate - ≥95%, high purity , CAS No.1198284-77-3

COA

Grade & Purity:

≥95%

Cas Number: 1198284-77-3
Molecular Weight: 380.29
PubChem CID: 49760098

In stock

Item Number

T732983

Grouped product items
SKU	Size	Availability	Price	Qty
T732983-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,289.90

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	Piperidinecarboxylic acids Benzenoids Aryl bromides Pyrazoles Heteroaromatic compounds Carbamate esters Tertiary amines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzopyrazole - Indazole - Piperidinecarboxylic acid - Aryl bromide - Aryl halide - Benzenoid - Piperidine - Azole - Heteroaromatic compound - Carbamic acid ester - Pyrazole - Tertiary amine - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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	tert-butyl 4-(5-bromo-2H-indazol-3-yl)piperidine-1-carboxylate
INCHI	InChI=1S/C17H22BrN3O2/c1-17(2,3)23-16(22)21-8-6-11(7-9-21)15-13-10-12(18)4-5-14(13)19-20-15/h4-5,10-11H,6-9H2,1-3H3,(H,19,20)
InChIKey	FWYHPNZDIXLONJ-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC(CC1)C2=C3C=C(C=CC3=NN2)Br
Isomeric SMILES	CC(C)(C)OC(=O)N1CCC(CC1)C2=C3C=C(C=CC3=NN2)Br
PubChem CID	49760098
Molecular Weight	380.29

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	380.300 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	379.09 Da
Monoisotopic Mass	379.09 Da
Topological Polar Surface Area	58.200 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	432.000
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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