5-Bromo-3-ethyl-1H-indazole

• CAS: 864774-67-4
• Catalog Number: ACM864774674
• Category: Bromine Series
• Molecular Weight: 225.1
• Molecular Formula: C9H9N2Br
• Synonyms: 5-bromo-3-ethyl-1H-indazole, MolPort-006-727-932, EN000881, 864774-67-4
• IUPAC Name: 5-bromo-3-ethyl-2H-indazole
• Canonical SMILES: CCC1=C2C=C(C=CC2=NN1)Br
• InChI Key: ULRBCMBSTWUHPK-UHFFFAOYSA-N
• Boiling Point: 350.923ºC at 760 mmHg
• Flash Point: 166.033ºC
• Density: 1.562g/cm³
• Exact Mass: 223.99500
• H-Bond Acceptor: 1
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C9H9BrN2.

What is the molecular weight of the compound?

The molecular weight of the compound is 225.08 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 5-bromo-3-ethyl-2H-indazole.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C9H9BrN2/c1-2-8-7-5-6(10)3-4-9(7)12-11-8/h3-5H,2H2,1H3,(H,11,12).

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CCC1=C2C=C(C=CC2=NN1)Br.

What is the CAS number of the compound?

The CAS number of the compound is 864774-67-4.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 1 hydrogen bond acceptor count.