Ethyl 3-(3-Bromophenyl)-5,7-Dihydroxy-4-Oxo-4H-Chromene-2-Carboxylate

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Properties Simple | Detailed

Formula C18H13BrO6
IUPAC Name ethyl 3-(3-bromophenyl)-5,7-dihydroxy-4-oxo-chromene-2-carboxylate
Molecular Mass 405.196 g·mol−1
Heat of Formation -784.9 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 390.76 Å 3
Surface Area 350.61 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 1.78 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(3-bromophenyl)-5,7-dihydroxy-4-keto-chromene-2-carboxylic acid ethyl ester
  • 3-(3-bromophenyl)-5,7-dihydroxy-4-oxo-2-chromenecarboxylic acid ethyl ester
  • 4h-1-benzopyran-2-carboxylic acid, 3-(3-bromophenyl)-5,7-dihydroxy-4-oxo-, ethyl ester
InChIKey PXFKQPIDCKZUID-UHFFFAOYSA-N
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Elements H C O Br