Structure

4-(4-Fluorophenyl)benzoic acid

CAS
5731-10-2
Catalog Number
ACM5731102
Category
Aryl Fluorinated Building Blocks
Molecular Weight
216.21
Molecular Formula
C13H9FO2

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Specification

Synonyms
1ysg, 4-(4-Fluorophenyl)benzoic acid, 651710_ALDRICH, 4PND-Q05-0, ALBB-005735, STK034344, 4-FLUORO-1,1-BIPHENYL-4-CARBOXYLIC ACID, 4FC, 5731-10-2
IUPAC Name
4-(4-fluorophenyl)benzoic acid
Canonical SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)F)C(=O)O
InChI Key
LXWNTLBMNCXRQN-UHFFFAOYSA-N
Boiling Point
369.4ºC at 760 mmHg
Melting Point
252-253ºC
Flash Point
177.2ºC
Density
1.261g/cm³
Exact Mass
216.05900
Hazard Statements
H315-H319-H335
H-Bond Acceptor
3
H-Bond Donor
1
RIDADR
UN 3082 9 / PGIII
Safety Description
26-60-61
Symbol
GHS07
What is the molecular formula of 4-(4-Fluorophenyl)benzoic acid?

The molecular formula is C13H9FO2.

What is the molecular weight of 4-(4-Fluorophenyl)benzoic acid?

The molecular weight is 216.21 g/mol.

What are some synonyms for 4-(4-Fluorophenyl)benzoic acid?

Some synonyms include 4'-fluorobiphenyl-4-carboxylic acid and 4'-Fluoro-biphenyl-4-carboxylic acid.

When was 4-(4-Fluorophenyl)benzoic acid created in the PubChem database?

It was created on July 19, 2005.

What is the InChIKey for 4-(4-Fluorophenyl)benzoic acid?

The InChIKey is LXWNTLBMNCXRQN-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 4-(4-Fluorophenyl)benzoic acid have?

It has 1 hydrogen bond donor count.

What is the topological polar surface area of 4-(4-Fluorophenyl)benzoic acid?

The topological polar surface area is 37.3 Å2.

How many rotatable bond counts does 4-(4-Fluorophenyl)benzoic acid have?

It has 2 rotatable bond counts.

What is the XLogP3 value of 4-(4-Fluorophenyl)benzoic acid?

The XLogP3 value is 3.7.

How many covalently-bonded unit counts does 4-(4-Fluorophenyl)benzoic acid have?

It has 1 covalently-bonded unit count.

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