(6R,7S)-7-Amino-3-Chloro-8-Oxo-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 76497-76-2]

Identification

• Name: (6R,7S)-7-Amino-3-Chloro-8-Oxo-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: (6R,7S)-7-Amino-3-Chloro-8-Keto-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; 1-Azabicyclo(4.2.0)Oct-2-Ene-2-Carboxylic Acid, 7-Amino-3-Chloro-8-Oxo-, (6R-Trans)-; 3-Chloro-1-Carbacephem
• Molecular Formula: C₈H₉ClN₂O₃
• Molecular Weight: 216.62
• CAS Registry Number: 76497-76-2
• SMILES: [C@H]12N(C(=O)[C@H]1N)C(=C(Cl)CC2)C(=O)O
• InChI: 1S/C8H9ClN2O3/c9-3-1-2-4-5(10)7(12)11(4)6(3)8(13)14/h4-5H,1-2,10H2,(H,13,14)/t4-,5+/m1/s1
• InChIKey: QNXHTHMVKRGOSJ-UHNVWZDZSA-N

Properties

• Density: 1.646g/cm³ (Cal.)
• Boiling point: 431.285°C at 760 mmHg (Cal.)
• Flash point: 214.634°C (Cal.)