4-Chloro-3,5-Dinitrobenzoic Acid

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Properties Simple | Detailed

Formula C7H3ClN2O6
IUPAC Name 4-chloro-3,5-dinitro-benzoic acid
Molecular Mass 246.562 g·mol−1
Heat of Formation -294.5 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 225.28 Å 3
Surface Area 216.36 Å 2
HOMO Energy -11.21 ± 0.55 eV
LUMO Energy 0.54 ± eV
Point Group Symmetry Cs
Synonyms
  • 3,5-dinitro-4-chlorobenzoic acid
  • 4-chloro-3,5-dinitrobenzoate
  • benzoic acid, 4-chloro-3,5-dinitro-
  • zero/005300
CAS Number(s)
  • 118-97-8
InChIKey PCTFIHOVQYYAMH-UHFFFAOYSA-N
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Elements H C N O Cl