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6-Bromo-3-butyl-1H-indazole - 98%, high purity , CAS No.1314987-32-0

COA

Grade & Purity:

≥98%

Cas Number: 1314987-32-0
Molecular Weight: 253.1
PubChem CID: 54759033

In stock

Item Number

B181130

Grouped product items
SKU	Size	Availability	Price	Qty
B181130-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,741.90

Basic Description

Synonyms	6-Bromo-3-butyl-1H-indazole \| 1314987-32-0 \| 6-bromo-3-butyl-2H-indazole \| DTXSID70716641 \| 1H-Indazole, 6-bromo-3-butyl- \| MFCD19684138 \| AKOS015898025 \| BS-20515 \| CS-0208687 \| A888435
Specifications & Purity	≥98%
Storage Temp	Room temperature
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	Benzenoids Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzopyrazole - Indazole - Aryl bromide - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen 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	6-bromo-3-butyl-2H-indazole
INCHI	InChI=1S/C11H13BrN2/c1-2-3-4-10-9-6-5-8(12)7-11(9)14-13-10/h5-7H,2-4H2,1H3,(H,13,14)
InChIKey	YUYWWOCCPQJSDL-UHFFFAOYSA-N
Smiles	CCCCC1=C2C=CC(=CC2=NN1)Br
Isomeric SMILES	CCCCC1=C2C=CC(=CC2=NN1)Br
PubChem CID	54759033
Molecular Weight	253.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	253.140 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	252.026 Da
Monoisotopic Mass	252.026 Da
Topological Polar Surface Area	28.700 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	186.000
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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