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5-Bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde - 95%, high purity , CAS No.1261365-67-6

COA

Grade & Purity:

≥95%

Cas Number: 1261365-67-6
Molecular Weight: 365.2
MDL number: MFCD18374134
PubChem CID: 50987375

In stock

Item Number

B481064

Grouped product items
SKU	Size	Availability	Price
B481064-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$210.90
B481064-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$75.90
B481064-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$730.90

Basic Description

Synonyms	5-Bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde, AldrichCPR \| DTXSID001152490 \| AKOS015834553 \| MFCD18374134 \| 1261365-67-6 \| 1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde, 5-bromo-1-(phenylsulfonyl)- \| 5-Bromo-1-(phenylsulfonyl)-1H-pyrro
Specifications & Purity	≥95%
Legal Information	Product of Adesis

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonamides
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonamides
Alternative Parents	Pyrrolopyridines Benzenesulfonyl compounds Aryl-aldehydes Substituted pyrroles Pyridines and derivatives Aryl bromides Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzenesulfonamide - Benzenesulfonyl group - Pyrrolopyridine - Aryl-aldehyde - Aryl bromide - Aryl halide - Pyridine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
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	1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-2-carbaldehyde
INCHI	InChI=1S/C14H9BrN2O3S/c15-11-6-10-7-12(9-18)17(14(10)16-8-11)21(19,20)13-4-2-1-3-5-13/h1-9H
InChIKey	ZJSMGCHOKHJIFB-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=CC(=CN=C32)Br)C=O
Isomeric SMILES	C1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=CC(=CN=C32)Br)C=O
PubChem CID	50987375
Molecular Weight	365.2

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Air sensitive
Molecular Weight	365.200 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	363.952 Da
Monoisotopic Mass	363.952 Da
Topological Polar Surface Area	77.400 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	487.000
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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