3-(3,4-Dichlorophenyl)-1-Methoxy-1-Methyl-Urea
[CAS# 56645-87-5]

Identification

• Name: 3-(3,4-Dichlorophenyl)-1-Methoxy-1-Methyl-Urea
• Synonyms: 3-(3,4-Dichlorophenyl)-1-Methoxy-1-Methyl-Urea; Profalon; Rotalin
• Molecular Formula: C₉H₁₀Cl₂N₂O₂
• Molecular Weight: 249.10
• CAS Registry Number: 56645-87-5
• SMILES: C1=C(NC(N(OC)C)=O)C=CC(=C1Cl)Cl
• InChI: 1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
• InChIKey: XKJMBINCVNINCA-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493