4-chloro-3-methylphenol

Synonyms: chlorocresol, "4-chloro-m-cresol", "parol", "p-chloro-m-cresol", "baktol", "candaseptic"

Source: 4-chloro-3-methylphenol is as a pesticide, bactericide and preserving agent.

Identifiers:

IUPAC Name: 4-chloro-3-methylphenol
CAS Number: 59-50-7
PubChem ID: 1732
InChiKey: CFKMVGJGLGKFKI-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C=CC(=C1)O)Cl

Structural Properties:

Molecular Formula: C₇H₇ClO
Molecular Weight: 142.58

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 9

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Evidence Supporting This Chemical as an Emerging Contaminant

Montes-Grajales, D., Fennix-Agudelo, M., & Miranda-Castro, W. (2017). Occurrence of personal care products as emerging chemicals of concern in water resources: A review. Science of the Total Environment, 595, 601-614.

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