(5E)-3-Chloro-6-Oxo-5-[(2,4,6-Trioxohexahydro-5-Pyrimidinyl)Hydrazono]-1,3-Cyclohexadiene-1-Sulfonic Acid

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Properties Simple | Detailed

Formula C10H7ClN4O7S
IUPAC Name (5e)-3-chloro-6-oxo-5-[(2,4,6-trioxohexahydropyrimidin-5-yl)hydrazono]cyclohexa-1,3-diene-1-sulfonic acid
Molecular Mass 362.703 g·mol−1
Heat of Formation -873.9 ± 16.7 kJ·mol−1
Dipole Moment 6.49 ± 1.08 D
Volume 344.24 Å 3
Surface Area 313.65 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -2.38 ± eV
Point Group Symmetry C1
Synonyms
  • (5e)-3-chloro-6-keto-5-[(2,4,6-triketohexahydropyrimidin-5-yl)hydrazono]cyclohexa-1,3-diene-1-sulfonic acid
  • (5e)-3-chloro-6-oxo-5-[(2,4,6-trioxo-5-hexahydropyrimidinyl)hydrazono]-1-cyclohexa-1,3-dienesulfonic acid
  • (5e)-3-chloro-6-oxo-5-[(2,4,6-trioxohexahydropyrimidin-5-yl)hydrazono]cyclohexa-1,3-diene-1-sulfonic acid
  • 2-hydroxy-3-sulfo-5-chlorophenylazo-1-barbituric acid
  • lumomagneson
CAS Number(s)
  • 3773-16-8
InChIKey HUEBHDQBBKKYPR-LNKIKWGQSA-N
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