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2-bromo-5-[(4-methoxyphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine - 97%, high purity , CAS No.1434141-87-3

COA

Grade & Purity:

≥97%

Cas Number: 1434141-87-3
Molecular Weight: 318.17
PubChem CID: 91800853

In stock

Item Number

B635624

Grouped product items
SKU	Size	Availability	Price	Qty
B635624-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$243.90
B635624-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,213.90

Basic Description

Synonyms	2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine \| A1-43063 \| A884949 \| AS-33945 \| 2-Bromo-5-(4-methoxybenzyl)-5H-pyrrolo[2,3-b]pyrazine \| 2-bromo-5-[(4-methoxyphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine \| C14H12BrN3O \| SB11293 \| 1434141-87-3 \| 5H-P
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolopyrazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolopyrazines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolopyrazines
Alternative Parents	Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Substituted pyrroles Pyrazines Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrrolopyrazine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Substituted pyrrole - Pyrazine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Organohalogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolopyrazines. These are compounds containing a pyrrolopyrazine moiety, which consists of a pyrrole ring fused to a pyrazine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrazine is a 6-membered ring consisting of six carbon atoms and two nitrogen centers at ring positions 1 and 4.
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-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine
INCHI	InChI=1S/C14H12BrN3O/c1-19-11-4-2-10(3-5-11)9-18-7-6-12-14(18)16-8-13(15)17-12/h2-8H,9H2,1H3
InChIKey	DFDZCGFENWVVHO-UHFFFAOYSA-N
Smiles	COC1=CC=C(C=C1)CN2C=CC3=NC(=CN=C32)Br
Isomeric SMILES	COC1=CC=C(C=C1)CN2C=CC3=NC(=CN=C32)Br
Alternate CAS	1434141-87-3
PubChem CID	91800853
Molecular Weight	318.17

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	318.170 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	317.016 Da
Monoisotopic Mass	317.016 Da
Topological Polar Surface Area	39.900 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	296.000
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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