1-(4-Bromophenyl)-3-hydroxycyclobutanecarboxylic acid

• Catalog Number: ACMA00002206
• Category: Ethers
• Molecular Weight: 271.11
• Molecular Formula: C₁₁H₈N₂O₃
• Hazard Statements: H318
• RIDADR: NONH for all modes of transport
• Symbol: GHS05

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C11H11BrO3.

What are the synonyms of the compound?

The synonyms of the compound are 1199556-64-3, 1-(4-Bromophenyl)-3-hydroxycyclobutanecarboxylic acid, 1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid, cis-1-(4-bromophenyl)-3-hydroxycyclobutanecarboxylic acid, (1S,3S)-1-(4-Bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid.

What is the molecular weight of the compound?

The molecular weight is 271.11 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C11H11BrO3/c12-8-3-1-7(2-4-8)11(10(14)15)5-9(13)6-11/h1-4,9,13H,5-6H2,(H,14,15).

What is the InChIKey of the compound?

The InChIKey is DIFJFJOUEOLYGY-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C1C(CC1(C2=CC=C(C=C2)Br)C(=O)O.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 1.8.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.