3-Bromoisoxazole-5-carboxylic acid
3-bromo-1,2-oxazole-5-carboxylic acid
Also Known As: 3-bromoisoxazole-5-carboxylic acid|null|3-bromo-1,2-oxazole-5-carboxylic acid|3-Bromo-5-carboxyisoxazole|3-Bromoisoxazole-5-CarboxylicAcid|3-BROMO-5-ISOXAZOLECARBOXYLIC ACID|5-ISOXAZOLECARBOXYLIC ACID, 3-BROMO-|3-Bromo-isoxazole-5-carboxylic acid|3-Bromo-5-carboxy-1,2-oxazole|KS-00000NJ4|5-Isoxazolecarboxylicacid, 3-bromo-|AM9953|Ethyl 3-bromoisoxazole-5-carboxylate|CB-2775|CS-W008746|6-Acetyl-2H-1,4-benzoxazin-3(4H)-one|Ethyl 3-Bromo-1,2-Oxazole-5-Carboxylate
| Molecular Formula | C4H2BrNO3 |
|---|---|
| Molecular Weight | 190.92181 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.92181 |
| Monoisotopic Mass | 190.92181 |
| Heavy Atoms | 9 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 6567-35-7 |
|---|---|
| SMILES | C1=C(ON=C1Br)C(=O)O |
| InChIKey | YNIMFLBFJCGBQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromoisoxazole-5-carboxylic acid (CAS 6567-35-7), with molecular formula C4H2BrNO3 and molecular weight 190.92181 g/mol. IUPAC: 3-bromo-1,2-oxazole-5-carboxylic acid.