3-Bromo-2-methylbenzoic acid

• CAS: 76006-33-2
• Catalog Number: ACM76006332
• Category: Bromine Series
• Molecular Weight: 215.04
• Molecular Formula: C8H7BrO2
• Synonyms: Benzoic acid, 3-bromo-2-methyl-
• IUPAC Name: 3-bromo-2-methylbenzoic acid
• Canonical SMILES: CC1=C(C=CC=C1Br)C(=O)O
• InChI: InChI=1S/C8H7BrO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11)
• InChI Key: BJGKVCKGUBYULR-UHFFFAOYSA-N
• Boiling Point: 316.1±30.0 ºC
• Melting Point: 152-156 ºC (lit.)
• Density: 1.599±0.06 g/ml

Custom Q&A

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

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

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

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

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

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

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

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

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

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

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

The canonical SMILES of 3-Bromo-2-methylbenzoic acid is CC1=C(C=CC=C1Br)C(=O)O.

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

The CAS number of 3-Bromo-2-methylbenzoic acid is 76006-33-2.

What is the European Community (EC) number of 3-Bromo-2-methylbenzoic acid?

The European Community (EC) number of 3-Bromo-2-methylbenzoic acid is 630-127-2.

What is the DSSTox Substance ID of 3-Bromo-2-methylbenzoic acid?

The DSSTox Substance ID of 3-Bromo-2-methylbenzoic acid is DTXSID40370815.

What is the topological polar surface area of 3-Bromo-2-methylbenzoic acid?

The topological polar surface area of 3-Bromo-2-methylbenzoic acid is 37.3Ų.