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Home> Hot Product Listed T   > T6590748
4031-79-2 structure

T6590748

Iupac Name:2-morpholin-4-yl-5-nitroaniline
CAS No.:4031-79-2
Molecular Weight:223.232
Molecular Formula:C17H24N4O2S2 (isomer)
Names and Identifiers
Synonyms

1-({5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}methyl)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide MCULE-8126645042 MOLPORT-009-330-585 Z647167556

Inchi
InChI=1S/C10H13N3O3/c11-9-7-8(13(14)15)1-2-10(9)12-3-5-16-6-4-12/h1-2,7H,3-6,11H2
InChkey
MONFCTPJGGZWCX-UHFFFAOYSA-N
Canonical Smiles
C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])N
Computational chemical data
  • Molecular Weight:223.232g/mol
  • Molecular Formula:C17H24N4O2S2
  • Compound Is Canonicalized:True
  • Exact Mass:223.096
  • Monoisotopic Mass:223.096
  • Complexity:250
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:16
  • 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
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