4-Nitrobenzyl (6R-trans)-7-Amino-3-Chloro-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 53994-83-5]

Identification

• Name: 4-Nitrobenzyl (6R-trans)-7-Amino-3-Chloro-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: 7-Amino-3-Chloro-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid (4-Nitrophenyl)Methyl Ester; 7-Amino-3-Chloro-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid (4-Nitrobenzyl) Ester
• Molecular Formula: C₁₄H₁₂ClN₃O₅S
• Molecular Weight: 369.78
• CAS Registry Number: 53994-83-5
• EINECS: 258-910-0
• SMILES: C3=C(COC(=O)C1=C(Cl)CSC2N1C(=O)C2N)C=CC(=C3)[N+]([O-])=O
• InChI: 1S/C14H12ClN3O5S/c15-9-6-24-13-10(16)12(19)17(13)11(9)14(20)23-5-7-1-3-8(4-2-7)18(21)22/h1-4,10,13H,5-6,16H2
• InChIKey: YLIOIMWNSIRKDG-UHFFFAOYSA-N

Properties

• Density: 1.642g/cm³ (Cal.)
• Boiling point: 616.08°C at 760 mmHg (Cal.)
• Flash point: 326.394°C (Cal.)