5-Bromobenzoxazole

• CAS: 132244-31-6
• Catalog Number: ACM132244316
• Category: Other
• Molecular Weight: 198.02
• Molecular Formula: C₇H₄BrNO

Custom Q&A

What is the PubChem CID of 5-Bromobenzoxazole?

The PubChem CID of 5-Bromobenzoxazole is 21749504.

What is the molecular formula of 5-Bromobenzoxazole?

The molecular formula of 5-Bromobenzoxazole is C7H4BrNO.

What is the molecular weight of 5-Bromobenzoxazole?

The molecular weight of 5-Bromobenzoxazole is 198.02 g/mol.

What is the IUPAC name of 5-Bromobenzoxazole?

The IUPAC name of 5-Bromobenzoxazole is 5-bromo-1,3-benzoxazole.

What is the InChIKey of 5-Bromobenzoxazole?

The InChIKey of 5-Bromobenzoxazole is PGOGTWDYLFKOHI-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Bromobenzoxazole?

The canonical SMILES of 5-Bromobenzoxazole is C1=CC2=C(C=C1Br)N=CO2.

What is the CAS number of 5-Bromobenzoxazole?

The CAS number of 5-Bromobenzoxazole is 132244-31-6.

How many hydrogen bond donor counts does 5-Bromobenzoxazole have?

5-Bromobenzoxazole has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 5-Bromobenzoxazole have?

5-Bromobenzoxazole has 2 hydrogen bond acceptor counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 40925-68-6
• 122-51-0

• 132244-31-6

Reference: [1] Journal of Medicinal Chemistry, 2017, vol. 60, # 14, p. 6337 - 6352

Upstream Synthesis Route 2

• 40925-68-6
• 149-73-5

• 132244-31-6

Reference: [1] Patent: US2014/243349, 2014, A1, . Location in patent: Paragraph 1741; 1742

Upstream Synthesis Route 3

• 40925-68-6
• 122-51-0

• 132244-31-6

Reference: [1]Journal of Medicinal Chemistry,2017,vol. 60,p. 6337 - 6352

Downstream Synthesis Route 1

• 132244-31-6

• 638192-65-1

Reference: [1] Patent: US2014/243349, 2014, A1,

Downstream Synthesis Route 2

• 132244-31-6
• 127972-02-5

• 628710-98-5

Reference: [1]Patent: WO2003/99776,2003,A1 .Location in patent: Page 60

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