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2-bromo-7-iodo-5-(4-methylbenzenesulfonyl)-5H-pyrrolo[2,3-b]pyrazine - 97%, high purity , CAS No.875781-45-6

COA

Grade & Purity:

≥97%

Cas Number: 875781-45-6
Molecular Weight: 478.1
PubChem CID: 45789631

In stock

Item Number

B177856

Grouped product items
SKU	Size	Availability	Price	Qty
B177856-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$317.90

Basic Description

Synonyms	2-BROMO-7-IODO-5-TOSYL-5H-PYRROLO[2,3-B]PYRAZINE \| 875781-45-6 \| 2-bromo-7-iodo-5-(4-methylbenzenesulfonyl)-5H-pyrrolo[2,3-b]pyrazine \| MFCD11109459 \| 2-bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine \| SCHEMBL721584 \| AMY5607 \| DTXSID60671912 \| QONWBLJGJMT
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

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	Tosyl compounds Pyrrolopyrazines Benzenesulfonyl compounds Aryl bromides Substituted pyrroles Pyrazines Aryl iodides Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organobromides Organoiodides Organonitrogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Pyrrolopyrazine - Toluene - Aryl bromide - Aryl halide - Aryl iodide - Pyrazine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organoiodide - Organobromide - Organohalogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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	2-bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
INCHI	InChI=1S/C13H9BrIN3O2S/c1-8-2-4-9(5-3-8)21(19,20)18-7-10(15)12-13(18)16-6-11(14)17-12/h2-7H,1H3
InChIKey	QONWBLJGJMTBKI-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=NC(=CN=C32)Br)I
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=NC(=CN=C32)Br)I
Molecular Weight	478.1
Reaxy-Rn	14515772
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14515772&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	478.100 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	476.864 Da
Monoisotopic Mass	476.864 Da
Topological Polar Surface Area	73.200 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	478.000
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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