Compound C18H13ClN2O6S

4-[(4-chloro-5-methyl-2-sulfophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid

CAS: 27757-95-5

Molecular Formula	`C18H13ClN2O6S`
Molecular Weight	420.8 g/mol
LogP	4.4
Topological Polar Surface Area	145.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	420.01828
Heavy Atoms	28
Complexity	711.0

Chemical Identifiers

CAS Number	27757-95-5
SMILES	`CC1=CC(=C(C=C1Cl)S(=O)(=O)O)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O`
InChIKey	`BZRQQRFJGITEMV-UHFFFAOYSA-N`

📖 Product Overview

Compound C18H13ClN2O6S (CAS: 27757-95-5) is a chemical compound with molecular formula C18H13ClN2O6S and molecular weight 420.8 g/mol. Its IUPAC systematic name is 4-[(4-chloro-5-methyl-2-sulfophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid. LogP 4.4 Topological Polar Surface Area 145.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 8 Rotatable Bonds 4 Exact Mass 420.01828 Heavy Atoms 28 Complexity 711.0 InChI Key: BZRQQRFJGITEMV-UHFFFAOYSA-N. SMILES: CC1=CC(=C(C=C1Cl)S(=O)(=O)O)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O.

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