4-{[3-(Trifluoromethyl)benzyl]oxy}benzoic acid

• Catalog Number: ACMA00002543
• Category: Ethers
• Molecular Weight: 296.24
• Molecular Formula: C₁₅H₁₁ClO₄
• Hazard Statements: H226-H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS02

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C15H11F3O3.

What is the molecular weight of the compound?

The molecular weight of the compound is 296.24 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-[[3-(trifluoromethyl)phenyl]methoxy]benzoic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C15H11F3O3/c16-15(17,18)12-3-1-2-10(8-12)9-21-13-6-4-11(5-7-13)14(19)20/h1-8H,9H2,(H,19,20).

What is the InChIKey of the compound?

The InChIKey of the compound is IKOXBVAMLHIDQL-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=CC(=CC(=C1)C(F)(F)F)COC2=CC=C(C=C2)C(=O)O.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 3.8.

How many hydrogen bond donor count does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor count does the compound have?

The compound has 6 hydrogen bond acceptor count.

How many rotatable bond count does the compound have?

The compound has 4 rotatable bond count.