2-Fluoro-6-iodobenzoic acid

• CAS: 111771-08-5
• Catalog Number: ACM111771085
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 266.01
• Molecular Formula: C7H4FIO2
• Synonyms: Benzoic acid, 2-fluoro-6-iodo-
• IUPAC Name: 2-fluoro-6-iodobenzoic acid
• Canonical SMILES: C1=CC(=C(C(=C1)I)C(=O)O)F
• InChI: InChI=1S/C7H4FIO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
• InChI Key: CYCXAPWOBWWNRK-UHFFFAOYSA-N
• Boiling Point: 301.6±27.0 ºC
• Melting Point: 123-126 ºC (lit.)
• Density: 1.957 g/ml
• Hazard Statements: H301-H311-H314-H331
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 2-Fluoro-6-iodobenzoic acid?

The molecular formula of 2-Fluoro-6-iodobenzoic acid is C7H4FIO2.

When was 2-Fluoro-6-iodobenzoic acid created in PubChem?

2-Fluoro-6-iodobenzoic acid was created in PubChem on July 19, 2005.

What is the computed InChIKey of 2-Fluoro-6-iodobenzoic acid?

The computed InChIKey of 2-Fluoro-6-iodobenzoic acid is CYCXAPWOBWWNRK-UHFFFAOYSA-N.

How is the exact mass of 2-Fluoro-6-iodobenzoic acid computed?

The exact mass of 2-Fluoro-6-iodobenzoic acid is computed by PubChem.

What is the XLogP3-AA value of 2-Fluoro-6-iodobenzoic acid?

The XLogP3-AA value of 2-Fluoro-6-iodobenzoic acid is 2.2.

How many hydrogen bond donor counts does 2-Fluoro-6-iodobenzoic acid have?

2-Fluoro-6-iodobenzoic acid has 1 hydrogen bond donor count.

What is the topological polar surface area of 2-Fluoro-6-iodobenzoic acid?

The topological polar surface area of 2-Fluoro-6-iodobenzoic acid is 37.3 Ų.

Is 2-Fluoro-6-iodobenzoic acid considered canonicalized in PubChem?

Yes, 2-Fluoro-6-iodobenzoic acid is considered canonicalized in PubChem.

What is the formal charge of 2-Fluoro-6-iodobenzoic acid?

The formal charge of 2-Fluoro-6-iodobenzoic acid is 0.

How many defined bond stereocenter counts does 2-Fluoro-6-iodobenzoic acid have?

2-Fluoro-6-iodobenzoic acid has 0 defined bond stereocenter counts.