5-[(p-Sulfophenyl)azo]salicylic Acid Acetate Methyl Ester Potassium Salt - CAS 34265-46-8

Catalog:	BB076682
Product Name:	5-[(p-Sulfophenyl)azo]salicylic Acid Acetate Methyl Ester Potassium Salt
CAS:	34265-46-8
Synonyms:	2-(Acetyloxy)-5-[2-(4-sulfophenyl)diazenyl]benzoic Acid 1-Methyl Ester Potassium Salt

Technical Data

IUPAC Name:	potassium4-[(4-acetyloxy-3-methoxycarbonylphenyl)diazenyl]benzenesulfonate
Description:	5-[(p-Sulfophenyl)azo]salicylic Acid Acetate Methyl Ester Potassium Salt is an intermediate in the preparation of Sulfasalazine (S699084) and its derivatives.
Molecular Weight:	416.45
Molecular Formula:	C16H13KN2O7S
Canonical SMILES:	CC(=O)OC1=C(C=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-])C(=O)OC.[K+]
InChI:	InChI=1S/C16H14N2O7S.K/c1-10(19)25-15-8-5-12(9-14(15)16(20)24-2)18-17-11-3-6-13(7-4-11)26(21,22)23/h3-9H,1-2H3,(H,21,22,23)/q+1/p-1
InChI Key:	IVDCJFYMQPXNTC-UHFFFAOYSA-M
Solubility:	Methanol
Appearance:	Yellow Solid

Complexity:	642
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	416.00805342
Formal Charge:	0
Heavy Atom Count:	27
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	416.00805342
Rotatable Bond Count:	7
Topological Polar Surface Area:	143Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0