2-[[(3-Amino-4-hydroxyphenyl)sulphonyl]amino]benzoic acid

Chemical Properties

Melting point	>203°C
Boiling point	580.1±60.0 °C(Predicted)
Density	1.607±0.06 g/cm3(Predicted)
storage temp.	2-8°C
pka	3.26±0.36(Predicted)
InChI	InChI=1S/C13H12N2O5S/c14-10-7-8(5-6-12(10)16)21(19,20)15-11-4-2-1-3-9(11)13(17)18/h1-7,15-16H,14H2,(H,17,18)
InChIKey	ISDVREGLMJJFJG-UHFFFAOYSA-N
SMILES	C(O)(=O)C1=CC=CC=C1NS(C1=CC=C(O)C(N)=C1)(=O)=O
CAS DataBase Reference	91-35-0(CAS DataBase Reference)
EPA Substance Registry System	Benzoic acid, 2-[[(3-amino-4-hydroxyphenyl)sulfonyl]amino]- (91-35-0)

TSCA	TSCA listed

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