4-Bromo-3-methylbenzoic acid

• CAS: 7697-28-1
• Catalog Number: ACM7697281
• Category: Bromine Series
• Molecular Weight: 215.04
• Molecular Formula: C8H7BrO2
• Synonyms: Benzoic acid, 4-bromo-3-methyl-
• IUPAC Name: 4-bromo-3-methylbenzoic acid
• Canonical SMILES: CC1=C(C=CC(=C1)C(=O)O)Br
• InChI: InChI=1S/C8H7BrO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)
• InChI Key: KWVXDZLVCISXIB-UHFFFAOYSA-N
• Boiling Point: 311.4±30.0 ºC
• Melting Point: 212-216 ºC (lit.)
• Density: 1.599±0.06 g/ml

Custom Q&A

What is the molecular formula of 4-Bromo-3-methylbenzoic acid?

The molecular formula of 4-Bromo-3-methylbenzoic acid is C8H7BrO2.

What is the molecular weight of 4-Bromo-3-methylbenzoic acid?

The molecular weight of 4-Bromo-3-methylbenzoic acid is 215.04 g/mol.

What is the IUPAC name of 4-Bromo-3-methylbenzoic acid?

The IUPAC name of 4-Bromo-3-methylbenzoic acid is 4-bromo-3-methylbenzoic acid.

What is the InChI of 4-Bromo-3-methylbenzoic acid?

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

What is the InChIKey of 4-Bromo-3-methylbenzoic acid?

The InChIKey of 4-Bromo-3-methylbenzoic acid is KWVXDZLVCISXIB-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromo-3-methylbenzoic acid?

The canonical SMILES of 4-Bromo-3-methylbenzoic acid is CC1=C(C=CC(=C1)C(=O)O)Br.

What is the CAS number of 4-Bromo-3-methylbenzoic acid?

The CAS number of 4-Bromo-3-methylbenzoic acid is 7697-28-1.

What is the European Community (EC) number of 4-Bromo-3-methylbenzoic acid?

The European Community (EC) number of 4-Bromo-3-methylbenzoic acid is 231-713-7.

What is the UNII of 4-Bromo-3-methylbenzoic acid?

The UNII of 4-Bromo-3-methylbenzoic acid is B77W8W6R4Q.

Is 4-Bromo-3-methylbenzoic acid a canonicalized compound?

Yes, 4-Bromo-3-methylbenzoic acid is a canonicalized compound.