3,5-Bis[3-(2-Chloroethyl)-3-Nitrosoureido]Benzoic Acid
[CAS# 13907-61-4]

Identification

• Name: 3,5-Bis[3-(2-Chloroethyl)-3-Nitrosoureido]Benzoic Acid
• Synonyms: 3,5-Bis[(2-Chloroethyl-Nitroso-Carbamoyl)Amino]Benzoic Acid; 3,5-Bis[[(2-Chloroethyl-Nitrosoamino)-Oxomethyl]Amino]Benzoic Acid; Benzoic Acid, 3,5-Bis[3-(2-Chloroethyl)-3-Nitrosoureido]-
• Molecular Formula: C₁₃H₁₄Cl₂N₆O₆
• Molecular Weight: 421.20
• CAS Registry Number: 13907-61-4
• SMILES: C1=C(NC(=O)N(N=O)CCCl)C=C(C=C1NC(=O)N(N=O)CCCl)C(=O)O
• InChI: 1S/C13H14Cl2N6O6/c14-1-3-20(18-26)12(24)16-9-5-8(11(22)23)6-10(7-9)17-13(25)21(19-27)4-2-15/h5-7H,1-4H2,(H,16,24)(H,17,25)(H,22,23)
• InChIKey: RRTCCTJFLQKSPL-UHFFFAOYSA-N

Properties

• Density: 1.645g/cm³ (Cal.)