Compound C16H13Cl2N5O3S

4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2,5-dichlorobenzenesulfonic acid

CAS: 12239-15-5

Molecular Formula	`C16H13Cl2N5O3S`
Molecular Weight	426.3 g/mol
LogP	3.7
Topological Polar Surface Area	131.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	425.01163
Heavy Atoms	27
Complexity	640.0

Chemical Identifiers

CAS Number	12239-15-5
SMILES	`CC1=NN(C(=C1N=NC2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl)N)C3=CC=CC=C3`
InChIKey	`QHVBDWZOQBMLLW-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H13Cl2N5O3S (CAS: 12239-15-5) is a chemical compound with molecular formula C16H13Cl2N5O3S and molecular weight 426.3 g/mol. Its IUPAC systematic name is 4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2,5-dichlorobenzenesulfonic acid. LogP 3.7 Topological Polar Surface Area 131.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 4 Exact Mass 425.01163 Heavy Atoms 27 Complexity 640.0 InChI Key: QHVBDWZOQBMLLW-UHFFFAOYSA-N. SMILES: CC1=NN(C(=C1N=NC2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl)N)C3=CC=CC=C3.

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