2-(1H-Indole-3-carboxaMido)benzoic acid

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For Research Use Only.

Category

Alkaloids

Cat.No.

NP0155

CAS

171817-95-1

Product Name

2-(1H-Indole-3-carboxaMido)benzoic acid

Structure

Product Details

Description

2-(1H-Indole-3-carboxamido)benzoic acid is an alkaloid isolated from Isatis idigotica.

Synonyms

2-(1H-Indole-3-carboxamido)benzoic acid; 171817-95-1; 2-(1H-indole-3-carbonylamino)benzoic acid2-[(1H-Indol-3-ylcarbonyl)amino]benzoic acid; HY-N1643

IUPAC Name

2-(1H-indole-3-carbonylamino)benzoic acid

Molecular Weight

280.283

Molecular Formula

C16H12N2O3

Canonical SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H12N2O3/c19-15(12-9-17-13-7-3-1-5-10(12)13)18-14-8-4-2-6-11(14)16(20)21/h1-9,17H,(H,18,19)(H,20,21)

InChIKey

DRWUBVFXVNQIND-UHFFFAOYSA-N

Boiling Point

456.4±25.0°C (Predicted)

Melting Point

248℃ (acetic acid )

Purity

98.0%

Density

1.450±0.06 g/cm3(Predicted)

Appearance

Brown powder

Form

Powder

pKa

3.49±0.36(Predicted)

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