4-Bromoisophthalic Acid

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Properties Simple | Detailed

Formula C8H5BrO4
IUPAC Name 4-bromobenzene-1,3-dicarboxylic acid
Molecular Mass 245.027 g·mol−1
Heat of Formation -613.7 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 208.57 Å 3
Surface Area 203.17 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy -1.78 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-benzenedicarboxylic acid, 4-bromo-
  • fr-2125
  • timtec1_004155
CAS Number(s)
  • 6939-93-1
InChIKey MSQIEZXCNYUWHN-UHFFFAOYSA-N
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Elements H C O Br