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Home> Hot Product Listed F   > F3398-5020
943540-75-8 structure

F3398-5020

Iupac Name:6-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CAS No.:943540-75-8
Molecular Weight:377.35000
Molecular Formula:C11H11N3O2 (isomer)
Names and Identifiers
Synonyms

AKOS021836471 isopentyl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate MCULE-3719401227 MOLPORT-009-709-389 n-[2-(2-methylpiperidin-1-yl)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide ZINC44168157

Inchi
InChI=1S/C19H13F2N7/c1-27-11-13(10-23-27)16-6-7-17-24-25-18(28(17)26-16)19(20,21)14-4-5-15-12(9-14)3-2-8-22-15/h2-11H,1H3
InChkey
JRWCBEOAFGHNNU-UHFFFAOYSA-N
Canonical Smiles
CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2
Properties
Refractive Index
1.733
HS Code
2933990090
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:377.35000g/mol
  • Molecular Formula:C11H11N3O2
  • Compound Is Canonicalized:True
  • Exact Mass:377.12
  • Monoisotopic Mass:377.12
  • Complexity:564
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:73.8A^2
  • Heavy Atom Count:28
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccB7gYAAAAAAAAAAAAAAAAAAAWLAAAA8WIAAAAAAAFix/gAAHQAIAAAADAjBHxQ/8P4IEACi AzZnZACShCsxgqAd2CA4ZJiIKOLA2dGEpAhgiALIyCcQgMAOCAACAAACAAAQAAQAAAQAAAAAAAAA AA==
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