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(4-Chloro-2-fluorophenyl)(6-chloro-2-methyl-8-(morpholinomethyl)imidazo[1，2-b]pyridazin-3-yl)methanone - ≥98%, high purity , CAS No.1229236-83-2

COA

Grade & Purity:

≥98%

Cas Number: 1229236-83-2
Molecular Weight: 423.28
PubChem CID: 56954584

In stock

Item Number

I734039

Grouped product items
SKU	Size	Availability	Price
I734039-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$351.90
I734039-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$704.90
I734039-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,747.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Aryl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Aryl-phenylketones
Alternative Parents	Benzoyl derivatives Aralkylamines Fluorobenzenes Chlorobenzenes Carbonylimidazoles Pyridazines and derivatives Aryl chlorides Aryl fluorides N-substituted imidazoles Morpholines Vinylogous halides Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aryl-phenylketone - Benzoyl - Halobenzene - Fluorobenzene - Chlorobenzene - Imidazole-4-carbonyl group - Aralkylamine - Morpholine - N-substituted imidazole - Aryl chloride - Aryl fluoride - Aryl halide - Oxazinane - Monocyclic benzene moiety - Benzenoid - Pyridazine - Imidazole - Vinylogous halide - Azole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organonitrogen compound - Organic nitrogen compound - Amine - Organofluoride - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and 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	(4-chloro-2-fluorophenyl)-[6-chloro-2-methyl-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-3-yl]methanone
INCHI	InChI=1S/C19H17Cl2FN4O2/c1-11-17(18(27)14-3-2-13(20)9-15(14)22)26-19(23-11)12(8-16(21)24-26)10-25-4-6-28-7-5-25/h2-3,8-9H,4-7,10H2,1H3
InChIKey	WXZUHCAKLKTCGB-UHFFFAOYSA-N
Smiles	CC1=C(N2C(=N1)C(=CC(=N2)Cl)CN3CCOCC3)C(=O)C4=C(C=C(C=C4)Cl)F
Isomeric SMILES	CC1=C(N2C(=N1)C(=CC(=N2)Cl)CN3CCOCC3)C(=O)C4=C(C=C(C=C4)Cl)F
PubChem CID	56954584
Molecular Weight	423.28

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	423.300 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	422.071 Da
Monoisotopic Mass	422.071 Da
Topological Polar Surface Area	59.700 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	568.000
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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