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5-Fluoro-3,4-dihydroisoquinolin-1(2H)-one - 98%, high purity , CAS No.230301-83-4

COA

Grade & Purity:

≥98%

Cas Number: 230301-83-4
Molecular Weight: 165.16
PubChem CID: 18377291

In stock

Item Number

F192188

Grouped product items
SKU	Size	Availability	Price	Qty
F192188-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
F192188-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$57.90

Discover 5-Fluoro-3,4-dihydroisoquinolin-1(2H)-one by Aladdin Scientific in 98% for only $13.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	5-Fluoro-3,4-dihydroisoquinolin-1(2H)-one \| 230301-83-4 \| 5-FLUORO-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE \| 1(2H)-ISOQUINOLINONE, 5-FLUORO-3,4-DIHYDRO- \| 5-FLOUORO-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE \| 5-FLUORO-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE \| SCHEMBL6421827 \| DTXSID80593268 \|
Specifications & Purity	≥98%
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	Tetrahydroisoquinolines Benzenoids Aryl fluorides Secondary carboxylic acid amides Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinolone - Tetrahydroisoquinoline - Aryl fluoride - Aryl halide - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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	5-fluoro-3,4-dihydro-2H-isoquinolin-1-one
INCHI	InChI=1S/C9H8FNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-3H,4-5H2,(H,11,12)
InChIKey	ZZGXLZYBHQFPQV-UHFFFAOYSA-N
Smiles	C1CNC(=O)C2=C1C(=CC=C2)F
Isomeric SMILES	C1CNC(=O)C2=C1C(=CC=C2)F
Molecular Weight	165.16
Reaxy-Rn	14006143
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14006143&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	165.160 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	165.059 Da
Monoisotopic Mass	165.059 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	195.000
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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