3-Fluoro-4-methylbenzoic acid

• CAS: 350-28-7
• Catalog Number: ACM350287
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 154.14
• Molecular Formula: C8H7FO2
• Synonyms: Benzoic acid, 3-fluoro-4-methyl-
• IUPAC Name: 3-fluoro-4-methylbenzoic acid
• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)O)F
• InChI: InChI=1S/C8H7FO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
• InChI Key: XUQCONCMPCVUDM-UHFFFAOYSA-N
• Boiling Point: 203.5 ºC
• Melting Point: 169-171 ºC (lit.)
• Density: 1.185 g/ml
• Hazard Statements: H315-H319-H335
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

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

The molecular formula of 3-Fluoro-4-methylbenzoic acid is C8H7FO2.

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

The molecular weight of 3-Fluoro-4-methylbenzoic acid is 154.14 g/mol.

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

The IUPAC name of 3-Fluoro-4-methylbenzoic acid is 3-fluoro-4-methylbenzoic acid.

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

The InChI of 3-Fluoro-4-methylbenzoic acid is InChI=1S/C8H7FO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11).

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

The InChIKey of 3-Fluoro-4-methylbenzoic acid is XUQCONCMPCVUDM-UHFFFAOYSA-N.

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

The canonical SMILES of 3-Fluoro-4-methylbenzoic acid is CC1=C(C=C(C=C1)C(=O)O)F.

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

The CAS number of 3-Fluoro-4-methylbenzoic acid is 350-28-7.

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

The European Community (EC) number of 3-Fluoro-4-methylbenzoic acid is 206-498-8.

What is the DSSTox Substance ID of 3-Fluoro-4-methylbenzoic acid?

The DSSTox Substance ID of 3-Fluoro-4-methylbenzoic acid is DTXSID50188529.

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

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