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(E)-3-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)acrylonitrile - 97%, high purity , CAS No.256431-72-8

COA

Grade & Purity:

≥97%

Cas Number: 256431-72-8
Molecular Weight: 314.37
PubChem CID: 9948752

In stock

Item Number

C665020

Grouped product items
SKU	Size	Availability	Price
C665020-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
C665020-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$14.90
C665020-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$42.90

View related series

Aromatic Ring Compounds (348) Quinoline compounds (67)

Basic Description

Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Phenylquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Phenylquinolines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylquinolines
Alternative Parents	Phenylpyridines Fluorobenzenes Aryl fluorides Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylquinoline - 4-phenylpyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl 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	(E)-3-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-enenitrile
INCHI	InChI=1S/C21H15FN2/c22-16-11-9-14(10-12-16)20-17-4-1-2-6-19(17)24-21(15-7-8-15)18(20)5-3-13-23/h1-6,9-12,15H,7-8H2/b5-3+
InChIKey	BFDPBLWCXIOOLM-HWKANZROSA-N
Smiles	C1CC1C2=NC3=CC=CC=C3C(=C2C=CC#N)C4=CC=C(C=C4)F
Isomeric SMILES	C1CC1C2=NC3=CC=CC=C3C(=C2/C=C/C#N)C4=CC=C(C=C4)F
PubChem CID	9948752
Molecular Weight	314.37

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
E2417376	Certificate of Analysis	Mar 20, 2024	C665020
E2417377	Certificate of Analysis	Mar 20, 2024	C665020
E2417384	Certificate of Analysis	Mar 20, 2024	C665020

Chemical and Physical Properties

Molecular Weight	314.400 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	314.122 Da
Monoisotopic Mass	314.122 Da
Topological Polar Surface Area	36.700 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	509.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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