4-Bromomethyl Benzoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C8H7BrO2
IUPAC Name 4-(bromomethyl)benzoic acid
Molecular Mass 215.044 g·mol−1
Heat of Formation -295.5 ± 16.7 kJ·mol−1
Dipole Moment 2.40 ± 1.08 D
Volume 196.22 Å 3
Surface Area 193.77 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • .alpha.-bromo-p-toluic acid
  • 4-bromomethylbenzoic acid
  • alpha-bromotoluic acid
  • benzoic acid, 4-(bromomethyl)-
  • p-(bromomethyl)benzoic acid
  • p-toluic acid, .alpha.-bromo-
  • p-toluic acid, alpha-bromo-
CAS Number(s)
  • 6232-88-8
InChIKey CQQSQBRPAJSTFB-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br