2-Bromo-3-methylbenzoic acid

• CAS: 53663-39-1
• Catalog Number: ACM53663391
• Category: Bromine Series
• Molecular Weight: 215.04
• Molecular Formula: C8H7BrO2
• Synonyms: 2-Bromo-3-carboxytoluene
• IUPAC Name: 2-bromo-3-methylbenzoic acid
• Canonical SMILES: CC1=C(C(=CC=C1)C(=O)O)Br
• InChI: InChI=1S/C8H7BrO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11)
• InChI Key: LSRTWJCYIWGKCQ-UHFFFAOYSA-N
• Boiling Point: 308.3±30.0 ºC
• Melting Point: 135-138 ºC (lit.)
• Density: 1.599±0.06 g/ml

Custom Q&A

What is the molecular formula of 2-Bromo-3-methylbenzoic acid?

The molecular formula of 2-Bromo-3-methylbenzoic acid is C8H7BrO2.

What is the molecular weight of 2-Bromo-3-methylbenzoic acid?

The molecular weight of 2-Bromo-3-methylbenzoic acid is 215.04 g/mol.

What is the IUPAC name of 2-Bromo-3-methylbenzoic acid?

The IUPAC name of 2-Bromo-3-methylbenzoic acid is 2-bromo-3-methylbenzoic acid.

What is the InChI of 2-Bromo-3-methylbenzoic acid?

The InChI of 2-Bromo-3-methylbenzoic acid is InChI=1S/C8H7BrO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11).

What is the InChIKey of 2-Bromo-3-methylbenzoic acid?

The InChIKey of 2-Bromo-3-methylbenzoic acid is LSRTWJCYIWGKCQ-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Bromo-3-methylbenzoic acid?

The canonical SMILES of 2-Bromo-3-methylbenzoic acid is CC1=C(C(=CC=C1)C(=O)O)Br.

What is the CAS number of 2-Bromo-3-methylbenzoic acid?

The CAS number of 2-Bromo-3-methylbenzoic acid is 53663-39-1.

What is the molecular weight of 2-Bromo-3-methylbenzoic acid according to PubChem?

The molecular weight of 2-Bromo-3-methylbenzoic acid according to PubChem is 215.04 g/mol.

What is the XLogP3 value of 2-Bromo-3-methylbenzoic acid?

The XLogP3 value of 2-Bromo-3-methylbenzoic acid is 3.4.

Is 2-Bromo-3-methylbenzoic acid a canonicalized compound?

Yes, 2-Bromo-3-methylbenzoic acid is a canonicalized compound according to PubChem.