3-Chloro-1-carbacephem
(6R,7S)-7-amino-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 3-Chloro-1-carbacephem|KST-1A8331|(6r,7s)-7-amino-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|7-Amino-3-chloro-8-oxo-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid (6R-trans)-|(6R)-3-Chloro-7alpha-amino-8-oxo-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid|(6R,7S)7-amino-3-chloro-1-azabicyclo[4,2,0]oct-2en-8-one-2-carboxylic acid|1-Azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-amino-3-chloro-8-oxo-, (6R-trans)-|1-Azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-chloro-8-oxo-, (6R,7S)-
| Molecular Formula | C8H9ClN2O3 |
|---|---|
| Molecular Weight | 216.03017 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.03017 |
| Monoisotopic Mass | 216.03017 |
| Heavy Atoms | 14 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 8065-16-5 |
|---|---|
| SMILES | C1CC(=C(N2[C@H]1[C@@H](C2=O)N)C(=O)O)Cl |
| InChIKey | QNXHTHMVKRGOSJ-UHNVWZDZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-1-carbacephem (CAS 8065-16-5), with molecular formula C8H9ClN2O3 and molecular weight 216.03017 g/mol. IUPAC: (6R,7S)-7-amino-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
3-Chloro-1-carbacephem is a custom synthesis product. We offer services from milligram to kilogram scale.
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