4-[(E)-{4-[(4,6-Dichloro-1,3,5-Triazin-2-Yl)Amino]-2-Sulfophenyl}Diazenyl]-5-Oxo-1-(4-Sulfophenyl)-4,5-Dihydro-1H-Pyrazole-3-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C19H12Cl2N8O9S2
IUPAC Name 4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4h-pyrazole-3-carboxylic acid
Molecular Mass 631.383 g·mol−1
Heat of Formation 199.4 ± 16.7 kJ·mol−1
Dipole Moment 4.02 ± 1.08 D
Volume 612.56 Å 3
Surface Area 528.42 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -2.25 ± eV
Point Group Symmetry C1
InChIKey IHRFTCGTRALYFG-IEUSNURDSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S