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

CAS: 84-57-1

Molecular Formula	`C10H8Cl2N2O4S`
Molecular Weight	323.15 g/mol
LogP	1.3
Topological Polar Surface Area	95.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	321.9582
Heavy Atoms	19
Complexity	516.0

Chemical Identifiers

CAS Number	84-57-1
SMILES	`CC1=NN(C(=O)C1)C2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl`
InChIKey	`KCEIVWKDBLAQKL-UHFFFAOYSA-N`

📖 Product Overview

2,5-dichloro-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid (CAS: 84-57-1) is a chemical compound with molecular formula C10H8Cl2N2O4S and molecular weight 323.15 g/mol. Its IUPAC systematic name is 2,5-dichloro-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid. LogP 1.3 Topological Polar Surface Area 95.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 321.9582 Heavy Atoms 19 Complexity 516.0 InChI Key: KCEIVWKDBLAQKL-UHFFFAOYSA-N. SMILES: CC1=NN(C(=O)C1)C2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl.

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