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7-bromo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one - 97%, high purity , CAS No.736990-40-2

COA

Grade & Purity:

≥97%

Cas Number: 736990-40-2
PubChem CID: 69883720

In stock

Item Number

B680737

Grouped product items
SKU	Size	Availability	Price
B680737-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$372.90
B680737-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$514.90
B680737-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$976.90
B680737-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,428.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives
      - Level5 Carboxylic acid amides
        Level6 2-heteroaryl carboxamides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Carboxylic acid amides
Direct Parent	2-heteroaryl carboxamides
Alternative Parents	Substituted pyrroles Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	2-heteroaryl carboxamide - Aryl bromide - Aryl halide - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Lactam - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group.
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	7-bromo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
INCHI	InChI=1S/C7H7BrN2O/c8-5-3-6-7(11)9-1-2-10(6)4-5/h3-4H,1-2H2,(H,9,11)
InChIKey	UIOJOBWZDXFHKG-UHFFFAOYSA-N
Smiles	C1CN2C=C(C=C2C(=O)N1)Br
Isomeric SMILES	C1CN2C=C(C=C2C(=O)N1)Br
PubChem CID	69883720

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	215.050 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	213.974 Da
Monoisotopic Mass	213.974 Da
Topological Polar Surface Area	34.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	185.000
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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