Structure

4-[(2-Fluorobenzyl)oxy]benzoic acid

CAS
405-24-3
Catalog Number
ACM405243
Category
Aryl Fluorinated Building Blocks
Molecular Weight
246.23
Molecular Formula
C13H15FO2

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Specification

Synonyms
ASINEX-REAG BAS 13355090;CHEMBRDG-BB 9036552;4-[(2-fluorobenzyl)oxy]benzoic acid;Albb-008971
Hazard Statements
H301-H315-H318-H335-H410
RIDADR
NONH for all modes of transport
Symbol
GHS05
What is the molecular formula of the compound?

The molecular formula is C14H11FO3.

What is the molecular weight of the compound?

The molecular weight is 246.23 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 4-[(2-fluorophenyl)methoxy]benzoic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C14H11FO3/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H,16,17).

What is the InChIKey of the compound?

The InChIKey is PKWADBDVMROXJB-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C1=CC=C(C(=C1)COC2=CC=C(C=C2)C(=O)O)F.

What is the CAS number of the compound?

The CAS number is 405-24-3.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID is DTXSID50424232.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 3.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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