1-(5-Bromo-2,4-difluoro-phenyl)ethanone

• Catalog Number: ACM864773648
• Product Name: 1-(5-Bromo-2,4-difluoro-phenyl)ethanone
• CAS: 864773-64-8
• Category: Bromine Series
• Synonyms: 1-(5-Bromo-2,4-difluorophenyl)ethan-1-one
• IUPAC Name: 1-(5-bromo-2,4-difluorophenyl)ethanone
• Molecular Weight: 235.03
• Molecular Formula: C8H5BrF2O
• Canonical SMILES: CC(=O)C1=CC(=C(C=C1F)F)Br
• InChI Key: KXZHDRBQPYKHKS-UHFFFAOYSA-N
• Exact Mass: 233.94900
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of the compound with the PubChem CID 20785359?

The molecular formula is C8H5BrF2O.

What is the IUPAC name of the compound?

The IUPAC name is 1-(5-bromo-2,4-difluorophenyl)ethanone.

What is the InChI key of the compound?

The InChI key is KXZHDRBQPYKHKS-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC(=O)C1=CC(=C(C=C1F)F)Br.

What is the CAS number of the compound?

The CAS number is 864773-64-8.

What is the European Community (EC) number of the compound?

The EC number is 639-369-3.

What is the molecular weight of the compound?

The molecular weight is 235.02 g/mol.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 2.5.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor count.

How many rotatable bond counts does the compound have?

The compound has 1 rotatable bond count.