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7-(trifluoromethyl)-1,2-dihydroisoquinolin-1-one - 97%, high purity , CAS No.410086-28-1

COA

Grade & Purity:

≥97%

Cas Number: 410086-28-1
Molecular Weight: 213.16
MDL number: MFCD12405863
PubChem CID: 42609180

In stock

Item Number

D633841

Grouped product items
SKU	Size	Availability	Price
D633841-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$151.90
D633841-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$242.90
D633841-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$403.90
D633841-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$605.90
D633841-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,031.90

Basic Description

Synonyms	AKOS015919022 \| A825386 \| MFCD12405863 \| AS-34231 \| SCHEMBL793511 \| 7-(Trifluoromethyl)-1,2-dihydroisoquinolin-1-one \| 1823885-45-5 \| 7-(trifluoromethyl)-2H-isoquinolin-1-one \| 7-TRIFLUOROMETHYL-2H-ISOQUINOLIN-1-ONE \| AB65552 \| DTXSID80654944 \| 1(2H)-Isoq
Specifications & Purity	≥97%
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	Pyridinones Benzenoids Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinolone - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - 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-(trifluoromethyl)-2H-isoquinolin-1-one
INCHI	InChI=1S/C10H6F3NO/c11-10(12,13)7-2-1-6-3-4-14-9(15)8(6)5-7/h1-5H,(H,14,15)
InChIKey	BTXOPRIQIDKOLM-UHFFFAOYSA-N
Smiles	C1=CC(=CC2=C1C=CNC2=O)C(F)(F)F
Isomeric SMILES	C1=CC(=CC2=C1C=CNC2=O)C(F)(F)F
Alternate CAS	410086-28-1
PubChem CID	42609180
Molecular Weight	213.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	213.160 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	213.04 Da
Monoisotopic Mass	213.04 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	298.000
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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