4-(Bromomethyl)-3-Nitrobenzoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C8H6BrNO4
IUPAC Name 4-(bromomethyl)-3-nitro-benzoic acid
Molecular Mass 260.042 g·mol−1
Heat of Formation -295.9 ± 16.7 kJ·mol−1
Dipole Moment 5.82 ± 1.08 D
Volume 224.83 Å 3
Surface Area 214.2 Å 2
HOMO Energy -10.47 ± 0.55 eV
LUMO Energy -1.88 ± eV
Point Group Symmetry C1
Synonyms
  • 4-bromomethyl-3-nitrobenzoic acid
  • ag-205/15424370
  • benzoic acid, 4-(bromomethyl)-3-nitro-
  • bnba
InChIKey QMAHVAFURJBOFV-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N