4-Bromo-2,3,5,6-tetrafluorobenzoic acid

• CAS: 4707-24-8
• Catalog Number: ACM4707248
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 272.98
• Molecular Formula: C₇HBrF₄O₂
• Synonyms: 341886_ALDRICH, NSC170060, CID298173, 4-Bromo-2,3,5,6-tetrafluorobenzoic acid, B163, 4707-24-8
• IUPAC Name: 4-bromo-2,3,5,6-tetrafluorobenzoic acid
• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)Br)F)F)C(=O)O
• InChI Key: MTZLICDXLGQWJV-UHFFFAOYSA-N
• Boiling Point: 260.9ºC at 760mmHg
• Melting Point: 142-145ºC(lit.)
• Flash Point: 111.6ºC
• Density: 2.022g/cm³
• Exact Mass: 271.91000
• Hazard Statements: H314
• H-Bond Acceptor: 6
• H-Bond Donor: 1
• RIDADR: UN 3265 8 / PGII
• Safety Description: S26
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 4-Bromo-2,3,5,6-tetrafluorobenzoic acid?

The molecular formula is C7HBrF4O2.

When was 4-Bromo-2,3,5,6-tetrafluorobenzoic acid first created?

It was first created on 2005-03-26.

What is the molecular weight of 4-Bromo-2,3,5,6-tetrafluorobenzoic acid?

The molecular weight is 272.98 g/mol.

What is the IUPAC name of 4-Bromo-2,3,5,6-tetrafluorobenzoic acid?

The IUPAC name is 4-bromo-2,3,5,6-tetrafluorobenzoic acid.

What is the InChIKey of 4-Bromo-2,3,5,6-tetrafluorobenzoic acid?

The InChIKey is MTZLICDXLGQWJV-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in 4-Bromo-2,3,5,6-tetrafluorobenzoic acid?

There is 1 hydrogen bond donor count.

What is the topological polar surface area of 4-Bromo-2,3,5,6-tetrafluorobenzoic acid?

The topological polar surface area is 37.3 Ų.

Is 4-Bromo-2,3,5,6-tetrafluorobenzoic acid a canonicalized compound?

Yes, it is canonicalized.

How many rotatable bond counts are there in 4-Bromo-2,3,5,6-tetrafluorobenzoic acid?

There is 1 rotatable bond count.

What is the formal charge of 4-Bromo-2,3,5,6-tetrafluorobenzoic acid?

The formal charge is 0.