Compound C16H13ClN4O5S

5-chloro-2-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonic acid

CAS: 25746-81-0

Molecular Formula	`C16H13ClN4O5S`
Molecular Weight	408.8 g/mol
LogP	2.9
Topological Polar Surface Area	140.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	408.0295
Heavy Atoms	27
Complexity	732.0

Chemical Identifiers

CAS Number	25746-81-0
SMILES	`CC1=NN(C(=O)C1N=NC2=C(C(=CC(=C2)Cl)S(=O)(=O)O)O)C3=CC=CC=C3`
InChIKey	`LSFNRVBPDLEXDS-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H13ClN4O5S (CAS: 25746-81-0) is a chemical compound with molecular formula C16H13ClN4O5S and molecular weight 408.8 g/mol. Its IUPAC systematic name is 5-chloro-2-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonic acid. LogP 2.9 Topological Polar Surface Area 140.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 4 Exact Mass 408.0295 Heavy Atoms 27 Complexity 732.0 InChI Key: LSFNRVBPDLEXDS-UHFFFAOYSA-N. SMILES: CC1=NN(C(=O)C1N=NC2=C(C(=CC(=C2)Cl)S(=O)(=O)O)O)C3=CC=CC=C3.

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