[3-(1,3-Dimethyl-2,6-Dioxopurin-7-Yl)-2-Hydroxypropyl] 2,4-Dichlorobenzoate
[CAS# 117782-63-5]

Identification

• Name: [3-(1,3-Dimethyl-2,6-Dioxopurin-7-Yl)-2-Hydroxypropyl] 2,4-Dichlorobenzoate
• Synonyms: [3-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)-2-Hydroxy-Propyl] 2,4-Dichlorobenzoate; 2,4-Dichlorobenzoic Acid [3-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)-2-Hydroxypropyl] Ester; 2,4-Dichlorobenzoic Acid [3-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)-2-Hydroxy-Propyl] Ester
• Molecular Formula: C₁₇H₁₆Cl₂N₄O₅
• Molecular Weight: 427.24
• CAS Registry Number: 117782-63-5
• SMILES: C1=C(C(=CC=C1Cl)C(=O)OCC(C[N]2C=NC3=C2C(N(C(N3C)=O)C)=O)O)Cl
• InChI: 1S/C17H16Cl2N4O5/c1-21-14-13(15(25)22(2)17(21)27)23(8-20-14)6-10(24)7-28-16(26)11-4-3-9(18)5-12(11)19/h3-5,8,10,24H,6-7H2,1-2H3
• InChIKey: KYTFTNAVIDOEID-UHFFFAOYSA-N

Properties

• Density: 1.581g/cm³ (Cal.)
• Boiling point: 677.761°C at 760 mmHg (Cal.)
• Flash point: 363.697°C (Cal.)