4-Fluorobenzoic acid

Synonyms: p-Fluorobenzoic acid, "Benzoic acid, 4-fluoro-", "para-Fluorobenzoic acid", "4-fluoro-benzoic acid", "Benzoic acid, p-fluoro-", "UNII-V5ROO2HOU4", "p-fluoro-Benzoic acid", "MFCD00002530", "V5ROO2HOU4", "CHEBI:20364", "BBYDXOIZLAWGSL-UHFFFAOYSA-N", "4-Fluorobenzoic acid, 99%", "4-Fluorobenzoatd", "p-flurobenzoic acid", "4-fluoro benzoic acid", "4-flouro benzoic acid"

Source: 4-Fluorobenzoic acid is used as an intermediate in organic synthesis.

Identifiers:

IUPAC Name: 4-fluorobenzoic acid
CAS Number: 456-22-4
PubChem ID: 9973
InChiKey: BBYDXOIZLAWGSL-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1C(=O)O)F

Structural Properties:

Molecular Formula: C₇H₅FO₂
Molecular Weight: 140,110

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 10

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Evidence Supporting This Chemical as an Emerging Contaminant

Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc?, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.

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