Compound C16H12N4O9S2

3-oxo-2-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-1H-pyrazole-5-carboxylic acid

CAS: 34175-08-1

Molecular Formula	`C16H12N4O9S2`
Molecular Weight	468.4 g/mol
LogP	0.7
Topological Polar Surface Area	220.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	6
Exact Mass	468.00458
Heavy Atoms	31
Complexity	995.0

Chemical Identifiers

CAS Number	34175-08-1
SMILES	`C1=CC(=CC=C1N=NC2=C(NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)O`
InChIKey	`SXSWSYRFTJDJTA-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H12N4O9S2 (CAS: 34175-08-1) is a chemical compound with molecular formula C16H12N4O9S2 and molecular weight 468.4 g/mol. Its IUPAC systematic name is 3-oxo-2-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-1H-pyrazole-5-carboxylic acid. LogP 0.7 Topological Polar Surface Area 220.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 12 Rotatable Bonds 6 Exact Mass 468.00458 Heavy Atoms 31 Complexity 995.0 InChI Key: SXSWSYRFTJDJTA-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1N=NC2=C(NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)O.

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