4-[(2-Chloroethyl-Nitrosocarbamoyl)Amino]-2,6-Dimethylbenzoic Acid
[CAS# 33054-79-4]

Identification

• Name: 4-[(2-Chloroethyl-Nitrosocarbamoyl)Amino]-2,6-Dimethylbenzoic Acid
• Synonyms: 4-[(2-Chloroethyl-Nitroso-Carbamoyl)Amino]-2,6-Dimethyl-Benzoic Acid; 4-[[(2-Chloroethyl-Nitrosoamino)-Oxomethyl]Amino]-2,6-Dimethylbenzoic Acid; 1-(2-Chloroethyl)-1-Nitroso-3-(4-Carboxy-3,5-Dimethylphenyl)Urea
• Molecular Formula: C₁₂H₁₄ClN₃O₄
• Molecular Weight: 299.71
• CAS Registry Number: 33054-79-4
• SMILES: C1=C(NC(N(CCCl)N=O)=O)C=C(C(=C1C)C(O)=O)C
• InChI: 1S/C12H14ClN3O4/c1-7-5-9(6-8(2)10(7)11(17)18)14-12(19)16(15-20)4-3-13/h5-6H,3-4H2,1-2H3,(H,14,19)(H,17,18)
• InChIKey: LHXROPALKCXVAZ-UHFFFAOYSA-N

Properties

• Density: 1.399g/cm³ (Cal.)