Compound C10H9ClN2O4S

4-chloro-3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid

CAS: 88-76-6

Molecular Formula	`C10H9ClN2O4S`
Molecular Weight	288.71 g/mol
LogP	0.6
Topological Polar Surface Area	95.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	287.99716
Heavy Atoms	18
Complexity	485.0

Chemical Identifiers

CAS Number	88-76-6
SMILES	`CC1=NN(C(=O)C1)C2=C(C=CC(=C2)S(=O)(=O)O)Cl`
InChIKey	`UWLNKHDLVZEYKQ-UHFFFAOYSA-N`

📖 Product Overview

Compound C10H9ClN2O4S (CAS: 88-76-6) is a chemical compound with molecular formula C10H9ClN2O4S and molecular weight 288.71 g/mol. Its IUPAC systematic name is 4-chloro-3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid. LogP 0.6 Topological Polar Surface Area 95.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 287.99716 Heavy Atoms 18 Complexity 485.0 InChI Key: UWLNKHDLVZEYKQ-UHFFFAOYSA-N. SMILES: CC1=NN(C(=O)C1)C2=C(C=CC(=C2)S(=O)(=O)O)Cl.

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