CAS 1718-34-9|potassium 2-hydroxy-5-[2-(4-nitrophenyl)diazen-1-yl]benzoate|Sodium p-Nitrobenzeneazosalicylate|p-Nitrobenzeneazosalicylic acid sodium salt|sodium 2-hydroxy-5-[2-(4-nitrophenyl)diazen-...

General Information

Structure

Molecular Formula

C₁₃H₈N₃NaO₅

Molecular Mass

309.20949

Exact Mass

309.03616465

Charge

InChI

InChI=1S/C13H9N3O5.Na/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21;/h1-7,17H,(H,18,19);/q;+1/p-1

InChIKey

HXKKTXMJSVFQSL-UHFFFAOYSA-M

Canonic Smiles

[O-]C(=O)c1cc(/N=N/c2ccc(cc2)[N+](=O)[O-])ccc1O.[Na+]

Isomeric Smiles

[Na+].Oc1c(cc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-])C(=O)[O-]

Calculated Properties

JChem

Acid pKa

3.2277393

H Acceptors

H Donor

LogD (pH = 5.5)

2.071656

LogD (pH = 7.4)

0.88268167

Log P

4.323141

Molar Refractivity

86.7717

Polarizability

26.399134

Polar Surface Area

128.22

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

potassium 2-hydroxy-5-[2-(4-nitrophenyl)diazen-1-yl]benzoate sodium 2-hydroxy-5-[2-(4-nitrophenyl)diazen-1-yl]benzoate

Synonyms

Sodium p-Nitrobenzeneazosalicylatep-Nitrobenzeneazosalicylic acid sodium saltMordant Orange 1C.I. 14030ALIZARIN YELLOW RAlizarine Yellow R Chrome Orange5-[(p-nitrophenyl)azo]salicylic acid sodium salt茜素黄钠盐5-(4-Nitrophenylazo)salicylic acid sodium saltAlizarin Yellow R sodium saltMordant Yellow 3R

IUPAC name

sodium 2-hydroxy-5-[2-(4-nitrophenyl)diazen-1-yl]benzoate

Names and Identifiers

Registration numbers

Wikipedia Title

CAS Number

Chemspider ID

EC Number