7-Bromo-2-chlorobenzothiazole

• CAS: 1188227-29-3
• Catalog Number: ACM1188227293
• Category: Bromine Series

Custom Q&A

What is the molecular formula of 7-Bromo-2-chlorobenzothiazole?

The molecular formula of 7-Bromo-2-chlorobenzothiazole is C7H3BrClNS.

What is the molecular weight of 7-Bromo-2-chlorobenzothiazole?

The molecular weight of 7-Bromo-2-chlorobenzothiazole is 248.53 g/mol.

What is the IUPAC name of 7-Bromo-2-chlorobenzothiazole?

The IUPAC name of 7-Bromo-2-chlorobenzothiazole is 7-bromo-2-chloro-1,3-benzothiazole.

What is the InChI of 7-Bromo-2-chlorobenzothiazole?

The InChI of 7-Bromo-2-chlorobenzothiazole is InChI=1S/C7H3BrClNS/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H.

What is the InChIKey of 7-Bromo-2-chlorobenzothiazole?

The InChIKey of 7-Bromo-2-chlorobenzothiazole is AHKIFAZHPYSUNV-UHFFFAOYSA-N.

What is the canonical SMILES of 7-Bromo-2-chlorobenzothiazole?

The canonical SMILES of 7-Bromo-2-chlorobenzothiazole is C1=CC2=C(C(=C1)Br)SC(=N2)Cl.

What is the XLogP3-AA value of 7-Bromo-2-chlorobenzothiazole?

The XLogP3-AA value of 7-Bromo-2-chlorobenzothiazole is 4.

How many hydrogen bond donor counts does 7-Bromo-2-chlorobenzothiazole have?

7-Bromo-2-chlorobenzothiazole has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 7-Bromo-2-chlorobenzothiazole have?

7-Bromo-2-chlorobenzothiazole has 2 hydrogen bond acceptor counts.

How many rotatable bond counts does 7-Bromo-2-chlorobenzothiazole have?

7-Bromo-2-chlorobenzothiazole has 0 rotatable bond counts.

Synthetic Use

Upstream Synthesis Route 1

• 161957-56-8

• 1188227-29-3

Reference: [1] Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 24, p. 7661 - 7670

Upstream Synthesis Route 2

• 58534-95-5

• 1188227-29-3

Reference: [1] Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 24, p. 7661 - 7670

Upstream Synthesis Route 3

• 848440-23-3

• 1188227-29-3

Reference: [1] Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 24, p. 7661 - 7670

Upstream Synthesis Route 4

• 161957-56-8

• 1188227-29-3

Reference: [1]Bioorganic and Medicinal Chemistry,2015,vol. 23,p. 7661 - 7670