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

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Properties Simple | Detailed

Formula C19H12Cl2N8O9S2
IUPAC Name 4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfo-phenyl]azo-5-oxo-1-(4-sulfophenyl)-4h-pyrazole-3-carboxylic acid
Molecular Mass 631.383 g·mol−1
Heat of Formation 2309.9 ± 16.7 kJ·mol−1
Dipole Moment 14.57 ± 1.08 D
Volume 577.82 Å 3
Surface Area 522.83 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -2.73 ± eV
Point Group Symmetry C1
InChIKey IHRFTCGTRALYFG-IEUSNURDSA-N
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Elements C N S O Cl