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Home> Hot Product Listed T   > T6621489
55983-92-1 structure

T6621489

Iupac Name:ethyl 1-(4-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxylate
CAS No.:55983-92-1
Molecular Weight:266.681
Molecular Formula:C17H20CL2N2O2S (isomer)
Names and Identifiers
Synonyms

1-(pyridin-2-yl)-3-[1-(thiophen-2-yl)ethyl]urea MCULE-1786619238 MOLPORT-009-557-273 Z448281640

Inchi
InChI=1S/C12H11ClN2O3/c1-2-18-12(17)10-7-11(16)15(14-10)9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3
InChkey
SZQLUXCXCLAPLL-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C1=NN(C(=O)C1)C2=CC=C(C=C2)Cl
Computational chemical data
  • Molecular Weight:266.681g/mol
  • Molecular Formula:C17H20CL2N2O2S
  • Compound Is Canonicalized:True
  • Exact Mass:266.046
  • Monoisotopic Mass:266.046
  • Complexity:376
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:18
  • 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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