3-Acetamido-5-Bromo-4-Methyl-2-Nitrobenzoic Acid
[CAS# 34545-18-1]

Identification

• Name: 3-Acetamido-5-Bromo-4-Methyl-2-Nitrobenzoic Acid
• Synonyms: 3-(acetylamino)-5-bromo-4-methyl-2-nitrobenzoic acid; 5-BROMO-2-NITRO-3-ACETYL-AMINO-4-METHYLBENZOIC ACID; 5-BROMO-2-NITRO-3-ACETYL-AMINO-4-METHYLBENZOICACID
• Molecular Formula: C₁₀H₉BrN₂O₅
• Molecular Weight: 317.09
• CAS Registry Number: 34545-18-1
• SMILES: Brc1cc(c(c(NC(=O)C)c1C)[N+]([O-])=O)C(=O)O
• InChI: 1S/C10H9BrN2O5/c1-4-7(11)3-6(10(15)16)9(13(17)18)8(4)12-5(2)14/h3H,1-2H3,(H,12,14)(H,15,16)
• InChIKey: XUFBFNKFASZTHQ-UHFFFAOYSA-N

Properties

• Density: 1.768g/cm³ (Cal.)
• Boiling point: 509.258°C at 760 mmHg (Cal.)
• Flash point: 261.79°C (Cal.)