4-Nitrobenzyl (6R-trans)-7-Amino-3-Chloro-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate Monohydrochloride
[CAS# 53483-70-8]

Identification

• Name: 4-Nitrobenzyl (6R-trans)-7-Amino-3-Chloro-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate Monohydrochloride
• Synonyms: (6R,7R)-7-Amino-3-Chloro-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid (4-Nitrophenyl)Methyl Ester Hydrochloride; (6R,7R)-7-Amino-3-Chloro-8-Keto-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid (4-Nitrobenzyl) Ester Hydrochloride
• Molecular Formula: C₁₄H₁₃Cl₂N₃O₅S
• Molecular Weight: 406.24
• CAS Registry Number: 53483-70-8
• EINECS: 258-580-8
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2N)C(OCC3=CC=C([N+]([O-])=O)C=C3)=O)Cl.[H+].[Cl-]
• InChI: 1S/C14H12ClN3O5S.ClH/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;1H/t10-,13-;/m1./s1
• InChIKey: QUSLYJRJAKKYQP-HTMVYDOJSA-N

Properties

• Boiling point: 616.1°C at 760 mmHg (Cal.)
• Flash point: 326.4°C (Cal.)