Methyl 5-(4-bromophenyl)isoxazole-3-carboxylate

• CAS: 517870-15-4
• Catalog Number: ACM517870154
• Category: Other Products
• Molecular Weight: 282.09
• Molecular Formula: C₁₁H₈BrNO₃
• Synonyms: METHYL 5-(4-BROMOPHENYL)ISOXAZOLE-3-CARBOXYLATE;5-(4-Bromophenyl)-3-isoxazolecarboxylic acid methyl ester
• Density: 1.526

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is methyl 5-(4-bromophenyl)-1,2-oxazole-3-carboxylate.

What is the molecular formula of the compound?

The molecular formula of the compound is C11H8BrNO3.

What is the molecular weight of the compound?

The molecular weight of the compound is 282.09 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C11H8BrNO3/c1-15-11(14)9-6-10(16-13-9)7-2-4-8(12)5-3-7/h2-6H,1H3.

What is the InChIKey of the compound?

The InChIKey of the compound is QDMKBPFKVHCOEZ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is COC(=O)C1=NOC(=C1)C2=CC=C(C=C2)Br.

What is the CAS number of the compound?

The CAS number of the compound is 517870-15-4.

What is the ChEMBL ID of the compound?

The ChEMBL ID of the compound is CHEMBL1331685.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.9.

Is the compound canonicalized?

Yes, the compound is canonicalized.