4-Fluoro-2-methylbenzoic acid

• CAS: 321-21-1
• Catalog Number: ACM321211
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 154.14
• Molecular Formula: C8H7FO2
• Synonyms: Benzoic acid, 4-fluoro-2-methyl-
• IUPAC Name: 4-fluoro-2-methylbenzoic acid
• Canonical SMILES: CC1=C(C=CC(=C1)F)C(=O)O
• InChI: InChI=1S/C8H7FO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)
• InChI Key: KDXOONIQRUZGSY-UHFFFAOYSA-N
• Boiling Point: 265.6±20.0 ºC
• Melting Point: 168-172 ºC (lit.)
• Density: 1.258±0.06 g/ml
• Hazard Statements: H302-H315-H317-H318-H335
• RIDADR: NONH for all modes of transport
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 4-Fluoro-2-methylbenzoic acid?

The molecular formula is C8H7FO2.

When was the compound 4-Fluoro-2-methylbenzoic acid created and modified?

It was created on 2005-09-12 and last modified on 2023-12-23.

What is the IUPAC name of 4-Fluoro-2-methylbenzoic acid?

The IUPAC name is 4-fluoro-2-methylbenzoic acid.

What is the InChIKey of 4-Fluoro-2-methylbenzoic acid?

The InChIKey is KDXOONIQRUZGSY-UHFFFAOYSA-N.

What is the molecular weight of 4-Fluoro-2-methylbenzoic acid?

The molecular weight is 154.14 g/mol.

How many hydrogen bond donor counts does 4-Fluoro-2-methylbenzoic acid have?

It has 1 hydrogen bond donor count.

What is the topological polar surface area of 4-Fluoro-2-methylbenzoic acid?

The topological polar surface area is 37.3 Ų.

Does 4-Fluoro-2-methylbenzoic acid have any isotope atom count?

No, it does not have any isotope atom count.

How many defined bond stereocenters does 4-Fluoro-2-methylbenzoic acid have?

It has 0 defined bond stereocenter counts.

Is 4-Fluoro-2-methylbenzoic acid canonicalized as a compound?

Yes, it is canonicalized as a compound.