3-Bromo-5-methylisoxazole

• CAS: 25741-97-3
• Catalog Number: ACM25741973
• Category: Bromine Series
• Molecular Formula: C₄H₄BrNO

Custom Q&A

What is the molecular formula of 3-Bromo-5-methylisoxazole?

The molecular formula is C4H4BrNO.

What is the molecular weight of 3-Bromo-5-methylisoxazole?

The molecular weight is 161.98 g/mol.

What is the IUPAC name of 3-Bromo-5-methylisoxazole?

The IUPAC name is 3-bromo-5-methyl-1,2-oxazole.

What is the InChI of 3-Bromo-5-methylisoxazole?

The InChI is InChI=1S/C4H4BrNO/c1-3-2-4(5)6-7-3/h2H,1H3.

What is the InChIKey of 3-Bromo-5-methylisoxazole?

The InChIKey is ICLAWFDDNFPOFQ-UHFFFAOYSA-N.

What is the Canonical SMILES of 3-Bromo-5-methylisoxazole?

The Canonical SMILES is CC1=CC(=NO1)Br.

What is the CAS number of 3-Bromo-5-methylisoxazole?

The CAS number is 25741-97-3.

What is the XLogP3 value of 3-Bromo-5-methylisoxazole?

The XLogP3 value is 1.5.

What is the hydrogen bond donor count of 3-Bromo-5-methylisoxazole?

The hydrogen bond donor count is 0.

Is 3-Bromo-5-methylisoxazole a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 58935-95-8

• 25741-97-3

Reference: [1] Chemistry and Industry (London, United Kingdom), 1957, p. 1650

Upstream Synthesis Route 2

• 74213-24-4
• 16466-97-0

• 25741-97-3

Reference: [1] Gazzetta Chimica Italiana, 1969, vol. 99, p. 1107 - 1114

Upstream Synthesis Route 3

• 58935-95-8

• 25741-97-3

Reference: [1]Chemistry and industry,1957,p. 1650

Downstream Synthesis Route 1

• 25741-97-3
• 67-56-1

• 16864-45-2

Reference: [1]Journal of the Chemical Society C: Organic,1968,p. 172 - 185

Downstream Synthesis Route 2

• 25741-97-3
• 50-00-0

• 1619-37-0

Reference: [1]Gazzetta Chimica Italiana,1969,vol. 99,p. 1107 - 1114

* For details of the synthesis route, please refer to the original source to ensure accuracy.