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Home> Hot Product Listed M   > MOLPORT-003-650-559
90389-40-5 structure

MOLPORT-003-650-559

Iupac Name:1-(3-fluorophenyl)-N-methylmethanamine;hydrochloride
CAS No.:90389-40-5
Molecular Weight:175.631
Molecular Formula:C10H9NO2 (isomer)
Names and Identifiers
Synonyms

AKOS029694824 MCULE-6472636723 n'-(3-hydroxyphenyl)-n-[2-(1h-indol-3-yl)ethyl]ethanediamide STOCK1N-75306 ZINC10017678

Inchi
InChI=1S/C8H10FN.ClH/c1-10-6-7-3-2-4-8(9)5-7;/h2-5,10H,6H2,1H3;1H
InChkey
MRDXZDQDUZPTTJ-UHFFFAOYSA-N
Canonical Smiles
CNCC1=CC(=CC=C1)F.Cl
Computational chemical data
  • Molecular Weight:175.631g/mol
  • Molecular Formula:C10H9NO2
  • Compound Is Canonicalized:True
  • Exact Mass:175.056
  • Monoisotopic Mass:175.056
  • Complexity:95.3
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:12A^2
  • Heavy Atom Count:11
  • 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: AAADccByAQAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHQAQAAAADADBGAwyAILAAACA AiBCAACCAAAgAAAIiIAIBIgIICKAkRGEIAhggAAIiAcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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