6-Bromo-5-fluoro-1H-indazole

• CAS: 1286734-85-7
• Catalog Number: ACM1286734857
• Category: Bromine Series
• Molecular Weight: 215.0244
• Molecular Formula: C7H4BrFN2
• MDL Number: MFCD18089816
• Size: 1g,5g,25g,100g

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C7H4BrFN2.

What are the synonyms for the compound?

Some synonyms for the compound include 6-Bromo-5-fluoro-1H-indazole, 1286734-85-7, and MFCD18089816.

What is the molecular weight of the compound?

The molecular weight is 215.02 g/mol.

When was the compound created and last modified?

The compound was created on October 30, 2011, and last modified on December 2, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 6-bromo-5-fluoro-1H-indazole.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C7H4BrFN2/c8-5-2-7-4(1-6(5)9)3-10-11-7/h1-3H,(H,10,11).

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=C2C=NNC2=CC(=C1F)Br.

What are the computed properties of the compound?

The computed properties of the compound include molecular weight (215.02 g/mol), XLogP3-AA (2.3), hydrogen bond donor count (1), hydrogen bond acceptor count (2), rotatable bond count (0), exact mass (213.95419 g/mol), monoisotopic mass (213.95419 g/mol), topological polar surface area (28.7Ų), heavy atom count (11), formal charge (0), complexity (155), isotope atom count (0), defined atom stereocenter count (0), undefined atom stereocenter count (0), defined bond stereocenter count (0), undefined bond stereocenter count (0), covalently-bonded unit count (1), and compound is canonicalized (Yes).

What is the CAS number of the compound?

The CAS number of the compound is 1286734-85-7.