4-Bromo-2-methylbenzoic acid

• CAS: 68837-59-2
• Catalog Number: ACM68837592
• Category: Bromine Series
• Molecular Weight: 215.04
• Molecular Formula: C8H7BrO2
• Synonyms: 5-Bromo-2-carboxytoluene
• IUPAC Name: 4-bromo-2-methylbenzoic acid
• Canonical SMILES: CC1=C(C=CC(=C1)Br)C(=O)O
• InChI: InChI=1S/C8H7BrO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)
• InChI Key: RVCJOGNLYVNRDN-UHFFFAOYSA-N
• Boiling Point: 310.1±30.0 ºC
• Melting Point: 180-184 ºC
• Density: 1.599±0.06 g/ml

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-bromo-2-methylbenzoic acid.

What is the molecular formula of the compound?

The molecular formula of the compound is C8H7BrO2.

What is the molecular weight of the compound?

The molecular weight of the compound is 215.04 g/mol.

What is the CAS number of the compound?

The CAS number of the compound is 68837-59-2.

What is the InChIKey of the compound?

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

How many hydrogen bond donor counts are there in the compound?

There is 1 hydrogen bond donor count in the compound.

How many hydrogen bond acceptor counts are there in the compound?

There are 2 hydrogen bond acceptor counts in the compound.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 37.3 Ų.

How many heavy atoms are there in the compound?

There are 11 heavy atoms in the compound.

Is the compound canonicalized?

Yes, the compound is canonicalized.