4-Bromo-2-fluorobenzoic acid

• CAS: 112704-79-7
• Catalog Number: ACM112704797
• Category: Bromine Series
• Molecular Weight: 219.01
• Molecular Formula: C7H4BrFO2
• Synonyms: Benzoic acid, 4-bromo-2-fluoro-
• IUPAC Name: 4-bromo-2-fluorobenzoic acid
• SMILES: C1=CC(=C(C=C1Br)F)C(=O)O
• InChI: InChI=1S/C7H4BrFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
• InChI Key: ZQQSRVPOAHYHEL-UHFFFAOYSA-N
• Boiling Point: 289.4±25.0 ºC
• Melting Point: 211-215 ºC (lit.)
• Density: 1.721 g/ml
• Complexity: 163
• Covalently-Bonded Unit Count: 1
• Exact Mass: 217.93787g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 11
• Monoisotopic Mass: 217.93787g/mol
• NSC Number: 190364
• Rotatable Bond Count: 1
• XLogP3: 3.1

Custom Q&A

What is the molecular formula of 4-Bromo-2-fluorobenzoic acid?

The molecular formula of 4-Bromo-2-fluorobenzoic acid is C7H4BrFO2.

What is the molecular weight of 4-Bromo-2-fluorobenzoic acid?

The molecular weight of 4-Bromo-2-fluorobenzoic acid is 219.01 g/mol.

What are some synonyms for 4-Bromo-2-fluorobenzoic acid?

Some synonyms for 4-Bromo-2-fluorobenzoic acid include 2-Fluoro-4-bromobenzoic acid, 4-Bromo-2-fluoro-benzoic acid, and more.

When was 4-Bromo-2-fluorobenzoic acid created and last modified in the PubChem database?

4-Bromo-2-fluorobenzoic acid was created on 2005-03-26 and last modified on 2023-12-02.

What is the InChIKey of 4-Bromo-2-fluorobenzoic acid?

The InChIKey of 4-Bromo-2-fluorobenzoic acid is ZQQSRVPOAHYHEL-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 4-Bromo-2-fluorobenzoic acid have?

4-Bromo-2-fluorobenzoic acid has one hydrogen bond donor count.

What is the exact mass of 4-Bromo-2-fluorobenzoic acid?

The exact mass of 4-Bromo-2-fluorobenzoic acid is 217.93787 g/mol.

How many rotatable bond counts does 4-Bromo-2-fluorobenzoic acid have?

4-Bromo-2-fluorobenzoic acid has one rotatable bond count.

What is the topological polar surface area of 4-Bromo-2-fluorobenzoic acid?

The topological polar surface area of 4-Bromo-2-fluorobenzoic acid is 37.3Ų.

Is 4-Bromo-2-fluorobenzoic acid considered a canonicalized compound in the PubChem database?

Yes, 4-Bromo-2-fluorobenzoic acid is considered a canonicalized compound in the PubChem database.