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2-Bromo-4-(3-(pyridin-2-yl)-1-trityl-1H-pyrazol-4-yl)pyridine - ≥95%, high purity , CAS No.446880-83-7

COA

Grade & Purity:

≥95%

Cas Number: 446880-83-7
Molecular Weight: 543.48
PubChem CID: 11353261

In stock

Item Number

B725867

Grouped product items
SKU	Size	Availability	Price	Qty
B725867-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$854.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Triphenyl compounds

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Triphenyl compounds
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Triphenyl compounds
Alternative Parents	2-halopyridines Benzene and substituted derivatives Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Triphenyl compound - 2-halopyridine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
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	2-bromo-4-(3-pyridin-2-yl-1-tritylpyrazol-4-yl)pyridine
INCHI	InChI=1S/C32H23BrN4/c33-30-22-24(19-21-35-30)28-23-37(36-31(28)29-18-10-11-20-34-29)32(25-12-4-1-5-13-25,26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-23H
InChIKey	ZMIHIYNGIPHKCL-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(C(=N4)C5=CC=CC=N5)C6=CC(=NC=C6)Br
Isomeric SMILES	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(C(=N4)C5=CC=CC=N5)C6=CC(=NC=C6)Br
PubChem CID	11353261
Molecular Weight	543.48

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	543.500 g/mol
XLogP3	7.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	542.111 Da
Monoisotopic Mass	542.111 Da
Topological Polar Surface Area	43.600 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	653.000
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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