Ethyl 6-Chloro-2-Oxo-2H-Chromene-3-Carboxylate

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Properties Simple | Detailed

Formula C12H10ClO4+
IUPAC Name ethyl 6-chloro-2-oxo-chromene-3-carboxylate
Molecular Mass 253.658 g·mol−1
Heat of Formation -557.9 ± 16.7 kJ·mol−1
Dipole Moment 1.17 ± 1.08 D
Volume 265.89 Å 3
Surface Area 257.02 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -1.84 ± eV
Point Group Symmetry C1
Synonyms
  • 6-chloro-2-keto-chromene-3-carboxylic acid ethyl ester
  • 6-chloro-2-oxo-3-chromenecarboxylic acid ethyl ester
  • bim-0044975.p001
  • cbmicro_044985
  • chromane-3-carboxylic acid, 6-chloro-2-oxo-, ethyl ester
  • ethyl 6-chloro-2-oxochromene-3-carboxylate
  • oprea1_369670
InChIKey HDBCARVARPQBKI-UHFFFAOYSA-N
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Elements H C O Cl