7-[Bis(2-Chloroethyl)Amino]-1H-Indole-2-Carboxylic Acid
[CAS# 731-76-0]

Identification

• Name: 7-[Bis(2-Chloroethyl)Amino]-1H-Indole-2-Carboxylic Acid
• Synonyms: 7-(Bis(2-Chloroethyl)Amino)-Indole-2-Carboxylic Acid; At-267; Brn 0420083
• Molecular Formula: C₁₃H₁₄Cl₂N₂O₂
• Molecular Weight: 301.17
• CAS Registry Number: 731-76-0
• SMILES: C2=C(C1=C(C=C([NH]1)C(O)=O)C=C2)N(CCCl)CCCl
• InChI: 1S/C13H14Cl2N2O2/c14-4-6-17(7-5-15)11-3-1-2-9-8-10(13(18)19)16-12(9)11/h1-3,8,16H,4-7H2,(H,18,19)
• InChIKey: NXEJUQMSIFIXKW-UHFFFAOYSA-N

Properties

• Density: 1.447g/cm³ (Cal.)
• Boiling point: 540.233°C at 760 mmHg (Cal.)
• Flash point: 280.523°C (Cal.)