3-Fluoro-4-iodobromobenzene

• CAS: 105931-73-5
• Catalog Number: ACM105931735
• Category: Bromine Series
• Molecular Weight: 300.89g/mol
• Molecular Formula: C6H3BrFI
• IUPAC Name: 4-bromo-2-fluoro-1-iodobenzene
• Canonical SMILES: C1=CC(=C(C=C1Br)F)I
• InChI: InChI=1S/C6H3BrFI/c7-4-1-2-6(9)5(8)3-4/h1-3H
• InChI Key: XRMZKCQCINEBEI-UHFFFAOYSA-N
• Complexity: 99.1
• Covalently-Bonded Unit Count: 1
• EC Number: 629-334-0
• Exact Mass: 299.84469g/mol
• Formal Charge: 0
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 9
• Monoisotopic Mass: 299.84469g/mol
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 0
• Symbol: GHS07
• XLogP3: 3.4

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-bromo-2-fluoro-1-iodobenzene.

What is the molecular formula of the compound?

The molecular formula of the compound is C6H3BrFI.

What is the molecular weight of the compound?

The molecular weight of the compound is 300.89 g/mol.

What is the InChIKey of the compound?

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

What is the CAS number of the compound?

The CAS number of the compound is 105931-73-5.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 1 hydrogen bond acceptor count.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 0Ų.

How many defined atom stereocenter counts does the compound have?

The compound has 0 defined atom stereocenter counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.