3'-Fluorobiphenyl-4-carboxylic acid

• CAS: 1841-58-3
• Catalog Number: ACM1841583
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 216.21
• Molecular Formula: C₁₃H₉FO
• Synonyms: ZINC02574075, CID7021712, 1841-58-3
• IUPAC Name: 4-(3-fluorophenyl)benzoate
• Canonical SMILES: C1=CC(=CC(=C1)F)C2=CC=C(C=C2)C(=O)O
• InChI Key: SJIIGBFXZWSXJP-UHFFFAOYSA-M
• Boiling Point: 373.5ºC at 760 mmHg
• Melting Point: 241-243ºC
• Flash Point: 179.7ºC
• Density: 1.261 g/cm³
• Exact Mass: 216.05900
• Hazard Statements: H302-H411
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• RIDADR: NONH for all modes of transport
• Safety Description: 26-36/37/39
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 3'-Fluorobiphenyl-4-carboxylic acid?

The molecular formula is C13H9FO2.

What is the molecular weight of 3'-Fluorobiphenyl-4-carboxylic acid?

The molecular weight is 216.21 g/mol.

What are some synonyms for 3'-Fluorobiphenyl-4-carboxylic acid?

Some synonyms include 2-FLUORO-4-PHENYLBENZOIC ACID, 3-Fluoro-[1,1'-biphenyl]-4-carboxylic acid, and 3-fluorobiphenyl-4-carboxylic acid.

What is the InChIKey for 3'-Fluorobiphenyl-4-carboxylic acid?

The InChIKey is OCBXYYOULFLHEZ-UHFFFAOYSA-N.

What is the XLogP3-AA value for 3'-Fluorobiphenyl-4-carboxylic acid?

The XLogP3-AA value is 3.2.

How many hydrogen bond acceptor counts does 3'-Fluorobiphenyl-4-carboxylic acid have?

It has 3 hydrogen bond acceptor counts.

What is the exact mass of 3'-Fluorobiphenyl-4-carboxylic acid?

The exact mass is 216.05865769 g/mol.

How many rotatable bond counts does 3'-Fluorobiphenyl-4-carboxylic acid have?

It has 2 rotatable bond counts.

What is the topological polar surface area of 3'-Fluorobiphenyl-4-carboxylic acid?

The topological polar surface area is 37.3Å2.

Is 3'-Fluorobiphenyl-4-carboxylic acid a covalently-bonded unit?

Yes, it is a covalently-bonded unit with a formal charge of 0.