3,6-Dibromo-1H-indole

• CAS: 74076-56-5
• Catalog Number: ACM74076565
• Category: Bromine Series
• Molecular Weight: 274.94
• Molecular Formula: C₈H₅Br₂N
• Synonyms: 3,6-Dibromoindole;3,6-DIBROMO-1H-INDOLE
• IUPAC Name: 3,6-dibromo-1H-indole
• Canonical SMILES: C1=CC2=C(C=C1Br)NC=C2Br
• InChI Key: PJAIMBYNTXNOCN-UHFFFAOYSA-N
• Boiling Point: 374.3ºC at 760 mmHg
• Density: 2.048 g/cm³
• Exact Mass: 272.87900
• H-Bond Acceptor: 0
• H-Bond Donor: 1

Custom Q&A

What is the IUPAC name of the compound with PubChem CID 21575357?

The IUPAC name of the compound is 3,6-dibromo-1H-indole.

What is the molecular formula of the compound?

The molecular formula of the compound is C8H5Br2N.

When was the PubChem CID 21575357 created?

The PubChem CID 21575357 was created on December 5, 2007.

What is the molecular weight of the compound?

The molecular weight of the compound is 274.94 g/mol.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is C1=CC2=C(C=C1Br)NC=C2Br.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 15.8 Ų.

Is the compound Canonicalized?

Yes, the compound is Canonicalized.

How many rotatable bond counts does the compound have?

The compound has 0 rotatable bond counts.

What is the InChIKey of the compound?

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