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1-Chloro-7-nitroh-pyrrolo[1,2-a]pyrazine - 95%, high purity , CAS No.1053656-45-3

COA

Grade & Purity:

≥95%

Cas Number: 1053656-45-3
Molecular Weight: 197.6
PubChem CID: 37819043

In stock

Item Number

C179038

Grouped product items
SKU	Size	Availability	Price
C179038-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$35.90
C179038-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$148.90
C179038-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$495.90

Basic Description

Synonyms	1-Chloro-7-nitropyrrolo[1,2-a]pyrazine \| 1053656-45-3 \| 1-chloro-7-nitroH-pyrrolo[1,2-a]pyrazine \| 1-Chloro-7-nitro-1H-pyrrolo[1,2-a]pyrazine \| DTXSID70653345 \| MFCD09839784 \| AKOS006329203 \| DS-1460 \| CS-0216044 \| FT-0685590 \| EN300-3235765 \| A801209 \| J-504524 \| W-204581 \| Z119823
Specifications & Purity	≥95%
Storage Temp	Room temperature
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	Nitroaromatic compounds Substituted pyrroles Pyrazines Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrrolopyrazine - Nitroaromatic compound - Aryl chloride - Aryl halide - Pyrazine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic cation - 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	1-chloro-7-nitropyrrolo[1,2-a]pyrazine
INCHI	InChI=1S/C7H4ClN3O2/c8-7-6-3-5(11(12)13)4-10(6)2-1-9-7/h1-4H
InChIKey	OTWHUHVUMPHTOY-UHFFFAOYSA-N
Smiles	C1=CN2C=C(C=C2C(=N1)Cl)[N+](=O)[O-]
Isomeric SMILES	C1=CN2C=C(C=C2C(=N1)Cl)[N+](=O)[O-]
Molecular Weight	197.6
Reaxy-Rn	62274788
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=62274788&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	197.580 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	196.999 Da
Monoisotopic Mass	196.999 Da
Topological Polar Surface Area	63.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	220.000
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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