3-(4-Fluorophenylthio)propionic acid

• Catalog Number: ACMA00001028
• Category: Amines
• Molecular Weight: 200.23
• Molecular Formula: C₁₂H₁₃Cl₂N₃
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound 3-(4-Fluorophenylthio)propionic acid?

The molecular formula is C9H9FO2S.

When was the compound first created?

The compound was first created on July 19, 2005.

What is the molecular weight of 3-(4-Fluorophenylthio)propionic acid?

The molecular weight is 200.23 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 3-(4-fluorophenyl)sulfanylpropanoic acid.

What is the InChI code for the compound?

The InChI code is InChI=1S/C9H9FO2S/c10-7-1-3-8(4-2-7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12).

What is the InChIKey of the compound?

The InChIKey is FDINPNNZXJHPKE-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C1=CC(=CC=C1F)SCCC(=O)O.

What is the XLogP3-AA value of 3-(4-Fluorophenylthio)propionic acid?

The XLogP3-AA value is 2.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.