(4-Bromo-2-Methyl-But-3-Yn-2-Yl) 4-Nitrobenzoate
[CAS# 100123-29-3]

Identification

• Name: (4-Bromo-2-Methyl-But-3-Yn-2-Yl) 4-Nitrobenzoate
• Synonyms: (3-Bromo-1,1-Dimethyl-Prop-2-Ynyl) 4-Nitrobenzoate; 4-Nitrobenzoic Acid (3-Bromo-1,1-Dimethylprop-2-Ynyl) Ester; 4-Nitrobenzoic Acid (3-Bromo-1,1-Dimethyl-Prop-2-Ynyl) Ester
• Molecular Formula: C₁₂H₁₀BrNO₄
• Molecular Weight: 312.12
• CAS Registry Number: 100123-29-3
• SMILES: C1=C(C(OC(C#CBr)(C)C)=O)C=CC(=C1)[N+]([O-])=O
• InChI: 1S/C12H10BrNO4/c1-12(2,7-8-13)18-11(15)9-3-5-10(6-4-9)14(16)17/h3-6H,1-2H3
• InChIKey: JZCXNZAGQVUQKK-UHFFFAOYSA-N