6-Bromo-1-chloroisoquinoline

• CAS: 205055-63-6
• Catalog Number: ACM205055636
• Category: Bromine Series

Custom Q&A

What is the molecular formula of 6-Bromo-1-chloroisoquinoline?

The molecular formula of 6-Bromo-1-chloroisoquinoline is C9H5BrClN.

What is the molecular weight of 6-Bromo-1-chloroisoquinoline?

The molecular weight of 6-Bromo-1-chloroisoquinoline is 242.50 g/mol.

How was the molecular weight of 6-Bromo-1-chloroisoquinoline computed?

The molecular weight of 6-Bromo-1-chloroisoquinoline was computed by PubChem 2.1.

What is the IUPAC name of 6-Bromo-1-chloroisoquinoline?

The IUPAC name of 6-Bromo-1-chloroisoquinoline is 6-bromo-1-chloroisoquinoline.

What is the InChIKey of 6-Bromo-1-chloroisoquinoline?

The InChIKey of 6-Bromo-1-chloroisoquinoline is VOAHGGQULSSGQW-UHFFFAOYSA-N.

What is the Canonical SMILES of 6-Bromo-1-chloroisoquinoline?

The Canonical SMILES of 6-Bromo-1-chloroisoquinoline is C1=CC2=C(C=CN=C2Cl)C=C1Br.

What is the CAS number of 6-Bromo-1-chloroisoquinoline?

The CAS number of 6-Bromo-1-chloroisoquinoline is 205055-63-6.

How many hydrogen bond donor counts does 6-Bromo-1-chloroisoquinoline have?

6-Bromo-1-chloroisoquinoline has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 6-Bromo-1-chloroisoquinoline have?

6-Bromo-1-chloroisoquinoline has 1 hydrogen bond acceptor count.

How many rotatable bond counts does 6-Bromo-1-chloroisoquinoline have?

6-Bromo-1-chloroisoquinoline has 0 rotatable bond counts.

Synthetic Use

Upstream Synthesis Route 1

• 223671-16-7

• 205055-63-6

Reference: [1] European Journal of Organic Chemistry, 2016, vol. 2016, # 8, p. 1606 - 1611

Upstream Synthesis Route 2

• 82827-09-6

• 205055-63-6

Reference: [1] Journal of Medicinal Chemistry, 2015, vol. 58, # 14, p. 5522 - 5537

Upstream Synthesis Route 3

• 119-65-3

• 205055-63-6

Reference: [1] Patent: US2003/187026, 2003, A1,

Downstream Synthesis Route 1

• 900517-08-0
• 205055-63-6

• 911305-58-3

Reference: [1]Bioorganic and Medicinal Chemistry,2006,vol. 14,p. 6832 - 6846
[2]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 3150 - 3155

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