Compound C16H12Cl2N4O7S2

2,5-dichloro-4-[3-methyl-5-oxo-4-[(4-sulfophenyl)diazenyl]-4H-pyrazol-1-yl]benzenesulfonic acid

CAS: 25739-65-5

Molecular Formula	`C16H12Cl2N4O7S2`
Molecular Weight	507.3 g/mol
LogP	2.1
Topological Polar Surface Area	183.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	5
Exact Mass	505.95245
Heavy Atoms	31
Complexity	969.0

Chemical Identifiers

CAS Number	25739-65-5
SMILES	`CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)O)C3=CC(=C(C=C3Cl)S(=O)(=O)O)Cl`
InChIKey	`DWYWPBYWDAZKNX-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H12Cl2N4O7S2 (CAS: 25739-65-5) is a chemical compound with molecular formula C16H12Cl2N4O7S2 and molecular weight 507.3 g/mol. Its IUPAC systematic name is 2,5-dichloro-4-[3-methyl-5-oxo-4-[(4-sulfophenyl)diazenyl]-4H-pyrazol-1-yl]benzenesulfonic acid. LogP 2.1 Topological Polar Surface Area 183.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 10 Rotatable Bonds 5 Exact Mass 505.95245 Heavy Atoms 31 Complexity 969.0 InChI Key: DWYWPBYWDAZKNX-UHFFFAOYSA-N. SMILES: CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)O)C3=CC(=C(C=C3Cl)S(=O)(=O)O)Cl.

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