6-Isopropyl 2-Methyl 3-Hydroxy-5-Methyl-2'-Nitro-2,6-Biphenyldicarboxylate

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Properties Simple | Detailed

Formula C19H19NO7
IUPAC Name o1-isopropyl o3-methyl 4-hydroxy-6-methyl-2-(2-nitrophenyl)benzene-1,3-dicarboxylate
Molecular Mass 373.357 g·mol−1
Heat of Formation -821.7 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 437.57 Å 3
Surface Area 337.38 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • 4-hydroxy-6-methyl-2-(2-nitrophenyl)benzene-1,3-dicarboxylic acid o1-isopropyl o3-methyl ester
  • 6-(1-methylethyl) 2-methyl 3-hydroxy-5-methyl-2'-nitro-(1,1'-biphenyl)-2,6-dicarboxylate
  • fr 75513
  • fr-75513
  • o1-isopropyl o3-methyl 4-hydroxy-6-methyl-2-(2-nitrophenyl)benzene-1,3-dicarboxylate
  • o3-methyl o1-propan-2-yl 4-hydroxy-6-methyl-2-(2-nitrophenyl)benzene-1,3-dicarboxylate
CAS Number(s)
  • 127975-78-4
InChIKey XSAOKGZBHYQDNI-UHFFFAOYSA-N
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