4-Bromo-2-(methylsulfonyl)benzoic acid

• CAS: 142994-02-3
• Catalog Number: ACM142994023
• Category: Bromine Series
• Molecular Weight: 279.1093
• Molecular Formula: C₈H₇BrO₄S
• Synonyms: 5-Bromo-2-carboxyphenyl methyl sulphone
• IUPAC Name: 4-bromo-2-methylsulfonylbenzoic acid
• Canonical SMILES: CS(=O)(=O)C1=C(C=CC(=C1)Br)C(=O)O
• InChI Key: LSUJRBJIQNLQKL-UHFFFAOYSA-N
• Boiling Point: 475.7ºC at 760 mmHg
• Flash Point: 241.5ºC
• Density: 1.745g/cm³
• Exact Mass: 277.92500
• H-Bond Acceptor: 4
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of 4-Bromo-2-(methylsulfonyl)benzoic acid?

The molecular formula is C8H7BrO4S.

What is the molecular weight of 4-Bromo-2-(methylsulfonyl)benzoic acid?

The molecular weight is 279.11 g/mol.

What is the IUPAC name of 4-Bromo-2-(methylsulfonyl)benzoic acid?

The IUPAC name is 4-bromo-2-methylsulfonylbenzoic acid.

What is the InChI key of 4-Bromo-2-(methylsulfonyl)benzoic acid?

The InChI key is LSUJRBJIQNLQKL-UHFFFAOYSA-N.

How many hydrogen bond donor count does 4-Bromo-2-(methylsulfonyl)benzoic acid have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor count does 4-Bromo-2-(methylsulfonyl)benzoic acid have?

It has 4 hydrogen bond acceptor count.

What is the exact mass of 4-Bromo-2-(methylsulfonyl)benzoic acid?

The exact mass is 277.92484 g/mol.

What is the topological polar surface area of 4-Bromo-2-(methylsulfonyl)benzoic acid?

The topological polar surface area is 79.8Ų.

How many heavy atoms are present in 4-Bromo-2-(methylsulfonyl)benzoic acid?

There are 14 heavy atoms.

Is 4-Bromo-2-(methylsulfonyl)benzoic acid considered as a canonicalized compound?

Yes, it is considered as a canonicalized compound.