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Home> Hot Product Listed K   > KYQGLGASZBTTFW-UHFFFAOYSA-N
13474-25-4 structure

KYQGLGASZBTTFW-UHFFFAOYSA-N

Iupac Name:1-ethenyl-3-methyl-1,2-dihydroimidazol-1-ium;chloride
CAS No.:13474-25-4
Molecular Weight:146.618
Molecular Formula:C20H18N2O2 (isomer)
Names and Identifiers
Synonyms

2(1h)-pyridinone, 3-bromo-5-chloro-1-methyl- 343981-02-2 3-bromo-5-chloro-1-methyl-2-pyridone SCHEMBL1983704

Inchi
InChI=1S/C6H10N2.ClH/c1-3-8-5-4-7(2)6-8;/h3-5H,1,6H2,2H3;1H
InChkey
QARDSQYLYGISQN-UHFFFAOYSA-N
Canonical Smiles
CN1C[NH+](C=C1)C=C.[Cl-]
Computational chemical data
  • Molecular Weight:146.618g/mol
  • Molecular Formula:C20H18N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:146.061
  • Monoisotopic Mass:146.061
  • Complexity:118
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:7.7A^2
  • Heavy Atom Count:9
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADccBjAAAEAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAHAAQAAAAAADBAAQDAAPAAACA AAAGQAAAAAAAAgAIAIAIAACAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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