Methyl 3-Chloro-2-{3-[(2,5-Dihydroxy-4-Methoxyphenyl)Amino]-3-Oxopropyl}-4,6-Dihydroxybenzoate

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Properties Simple | Detailed

Formula C18H18ClNO8
IUPAC Name methyl 3-chloro-2-[3-(2,5-dihydroxy-4-methoxy-anilino)-3-oxo-propyl]-4,6-dihydroxy-benzoate
Molecular Mass 411.790 g·mol−1
Heat of Formation -1315.8 ± 16.7 kJ·mol−1
Dipole Moment 6.52 ± 1.08 D
Volume 437.61 Å 3
Surface Area 391.8 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
Synonyms
  • 3-chloro-2-[3-[(2,5-dihydroxy-4-methoxy-phenyl)amino]-3-keto-propyl]-4,6-dihydroxy-benzoic acid methyl ester
  • 3-chloro-2-[3-[(2,5-dihydroxy-4-methoxyphenyl)amino]-3-oxopropyl]-4,6-dihydroxybenzoic acid methyl ester
  • methyl 3-chloro-2-[3-[(2,5-dihydroxy-4-methoxy-phenyl)amino]-3-oxo-propyl]-4,6-dihydroxy-benzoate
  • methyl 3-chloro-2-[3-[(2,5-dihydroxy-4-methoxyphenyl)amino]-3-oxopropyl]-4,6-dihydroxybenzoate
  • rda
InChIKey GUVWEHNRWHNDRF-UHFFFAOYSA-N
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