4-(Trifluoromethyl)-indole-2-carboxylic acid

• CAS: 317-59-9
• Catalog Number: ACM317599
• Category: Indoles
• Molecular Weight: 229.15
• Molecular Formula: C10H6F3NO2
• Synonyms: 1H-INDOLE-2-CARBOXYLIC ACID,4-(TRIFLUOROMETHYL)-

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C10H6F3NO2.

What are the synonyms of the compound?

The synonyms of the compound are 4-(trifluoromethyl)-1H-indole-2-carboxylic Acid, 317-59-9, 4-(Trifluoromethyl)-indole-2-carboxylic acid, and 1H-Indole-2-carboxylic acid, 4-(trifluoromethyl)-.

What is the molecular weight of the compound?

The molecular weight of the compound is 229.15 g/mol.

What is the IUPAC Name of the compound?

The IUPAC Name of the compound is 4-(trifluoromethyl)-1H-indole-2-carboxylic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H6F3NO2/c11-10(12,13)6-2-1-3-7-5(6)4-8(14-7)9(15)16/h1-4,14H,(H,15,16).

What is the InChIKey of the compound?

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

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is C1=CC(=C2C=C(NC2=C1)C(=O)O)C(F)(F)F.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.8.

How many hydrogen bond donor counts are there in the compound?

There are 2 hydrogen bond donor counts in the compound.

How many hydrogen bond acceptor counts are there in the compound?

There are 5 hydrogen bond acceptor counts in the compound.