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3-(Bromomethyl)-2-cyclopropyl-4-(4'-fluorophenyl)quinoline - ≥98%, high purity , CAS No.154057-56-4

COA

Grade & Purity:

≥98%

Cas Number: 154057-56-4
Molecular Weight: 356.23
PubChem CID: 29927785

In stock

Item Number

C731715

Grouped product items
SKU	Size	Availability	Price	Qty
C731715-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$46.90
C731715-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$159.90

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 Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylquinoline - 4-phenylpyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organofluoride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Alkyl bromide - Alkyl halide - 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	3-(bromomethyl)-2-cyclopropyl-4-(4-fluorophenyl)quinoline
INCHI	InChI=1S/C19H15BrFN/c20-11-16-18(12-7-9-14(21)10-8-12)15-3-1-2-4-17(15)22-19(16)13-5-6-13/h1-4,7-10,13H,5-6,11H2
InChIKey	QCNHMJKMLPPGMF-UHFFFAOYSA-N
Smiles	C1CC1C2=NC3=CC=CC=C3C(=C2CBr)C4=CC=C(C=C4)F
Isomeric SMILES	C1CC1C2=NC3=CC=CC=C3C(=C2CBr)C4=CC=C(C=C4)F
PubChem CID	29927785
Molecular Weight	356.23

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	356.200 g/mol
XLogP3	5.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	355.037 Da
Monoisotopic Mass	355.037 Da
Topological Polar Surface Area	12.900 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	378.000
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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