2-Chloro-6-(1H-Pyrrol-1-Yl)Benzoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C11H8ClNO2
IUPAC Name 2-chloro-6-(2h-pyrrol-1-ium-2-ylium-1-yl)benzoic acid
Molecular Mass 221.640 g·mol−1
Heat of Formation -157.5 ± 16.7 kJ·mol−1
Dipole Moment 3.14 ± 1.08 D
Volume 240.34 Å 3
Surface Area 223.84 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-carboxy-3-chlorophenyl)pyrrole
  • 2-chloro-6-(1-pyrrolyl)benzoic acid
  • 2-chloro-6-pyrrol-1-yl-benzoic acid
  • 2-chloro-6-pyrrol-1-ylbenzoic acid
  • benzoic acid, 2-chloro-6-(1h-pyrrol-1-yl)-
  • t 9078
  • t-9078
CAS Number(s)
  • 54779-76-9
InChIKey OVVCTOSIMDWXLP-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl