Acetyl-5-Bromosalicylic Acid

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Properties Simple | Detailed

Formula C9H7BrO4
IUPAC Name 2-acetoxy-5-bromo-benzoic acid
Molecular Mass 259.053 g·mol−1
Heat of Formation -622.2 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 228.5 Å 3
Surface Area 218.98 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(acetyloxy)-4-bromo-benzoic acid
  • 2-(acetyloxy)-5-bromobenzoic acid
  • 2-acetoxy-5-bromobenzoic acid
  • 2-acetyloxy-5-bromo-benzoic acid
  • 2-acetyloxy-5-bromobenzoic acid
  • 5-bromo-2-acetylsalicylic acid
  • 5-bromoacetylsalicylic acid
  • 5-bromosalicylic acid acetate
  • acetyl 5-bromosalicylic acid
  • benzoic acid, 2-(acetyloxy)-5-bromo-
  • benzoic acid, 2-(acetyloxy)-5-bromo- (9ci)
  • bromoaspirin
  • oprea1_489072
  • salicylic acid, 5-bromo-, acetate
  • sedasprin
CAS Number(s)
  • 1503-53-3
InChIKey VRJBEVQGJOSGOX-UHFFFAOYSA-N
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Elements H C O Br