4-Nitrobenzyl 6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
[CAS# 98510-71-5]

Identification

• Name: 4-Nitrobenzyl 6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
• Molecular Formula: C₁₅H₁₄Br₂N₂O₅S
• Molecular Weight: 494.16
• CAS Registry Number: 98510-71-5
• SMILES: O=C(OCc1ccc(cc1)[N+]([O-])=O)C2N3C(=O)C(Br)(Br)C3SC2(C)C
• InChI: 1S/C15H14Br2N2O5S/c1-14(2)10(18-12(21)15(16,17)13(18)25-14)11(20)24-7-8-3-5-9(6-4-8)19(22)23/h3-6,10,13H,7H2,1-2H3
• InChIKey: PWPAEVUYDSBPBY-UHFFFAOYSA-N

Properties

• Density: 1.895g/cm³ (Cal.)
• Boiling point: 579.396°C at 760 mmHg (Cal.)
• Flash point: 304.208°C (Cal.)