5-[(6-Bromohexanoyl)Amino]-2-Nitrobenzoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C13H15BrN2O5
IUPAC Name 5-(6-bromohexanoylamino)-2-nitro-benzoic acid
Molecular Mass 359.173 g·mol−1
Heat of Formation -548.2 ± 16.7 kJ·mol−1
Dipole Moment 7.35 ± 1.08 D
Volume 359.25 Å 3
Surface Area 334.78 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
Synonyms
  • 2-nbhba
  • 2-nitro-5-(6-bromohexanoylamino)benzoic acid
  • 5-((6-bromo-1-oxohexyl)amino)-2-nitrobenzoic acid
  • 5-[(6-bromo-1-oxohexyl)amino]-2-nitrobenzoic acid
  • benzoic acid, 5-((6-bromo-1-oxohexyl)amino)-2-nitro-
CAS Number(s)
  • 98849-70-8
InChIKey XTBKPURWMIKVPT-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N