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7-Nitroisoquinolin-1(2H)-one - 97%, high purity , CAS No.20141-83-7

COA

Grade & Purity:

≥97%

Cas Number: 20141-83-7
Molecular Weight: 190.16
PubChem CID: 11019638

In stock

Item Number

N191919

Grouped product items
SKU	Size	Availability	Price	Qty
N191919-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
N191919-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$26.90

Discover 7-Nitroisoquinolin-1(2H)-one by Aladdin Scientific in 97% for only $9.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	7-NITROISOQUINOLIN-1(2H)-ONE \| 20141-83-7 \| 7-nitro-2H-isoquinolin-1-one \| 7-nitroisocarbostyril \| SCHEMBL5386815 \| 7-NITROISOQUINOLIN-1-OL \| DTXSID20452103 \| GEO-03856 \| MFCD15526743 \| AKOS016009038 \| 7-nitro-1,2-dihydroisoquinolin-1-one \| AB70072 \| DS-4481 \| CS-0043088 \| FT-074114
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoquinolines and derivatives
    - Subclass Isoquinolones and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoquinolines and derivatives
Subclass	Isoquinolones and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Isoquinolones and derivatives
Alternative Parents	Nitroaromatic compounds Pyridinones Benzenoids Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinolone - Nitroaromatic compound - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
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-nitro-2H-isoquinolin-1-one
INCHI	InChI=1S/C9H6N2O3/c12-9-8-5-7(11(13)14)2-1-6(8)3-4-10-9/h1-5H,(H,10,12)
InChIKey	YJZDQXBQGAXXGP-UHFFFAOYSA-N
Smiles	C1=CC(=CC2=C1C=CNC2=O)[N+](=O)[O-]
Isomeric SMILES	C1=CC(=CC2=C1C=CNC2=O)[N+](=O)[O-]
Molecular Weight	190.16
Reaxy-Rn	7204472
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7204472&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	190.160 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	190.038 Da
Monoisotopic Mass	190.038 Da
Topological Polar Surface Area	74.900 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	295.000
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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