3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone

Synonyms: 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone, "3-chloro-4-(dichloromethyl)-5-hydroxyfuran-2(5H)-one","Chloro(dichloromethyl)-5-hydroxy-2(5H)-furanone", "MX", "3-Chloro-4-dichloromethyl-5-hydroxy-2(5H)-furanone", "MX (bacterial mutagen)", "3-Chloro-4-dichloromethyl-5-hydroxy-2-furanone", "2(5H)-Furanone, 3-chloro-4-dichloromethyl-5-hydroxy-", "3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone(MX)", "4-chloro-3-(dichloromethyl)-2-hydroxy-2H-furan-5-one".

Source: 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone is a drinking water disinfection byproduct.

Identifiers:

IUPAC Name: 4-chloro-3-(dichloromethyl)-2-hydroxy-2H-furan-5-one
CAS Number: 77439-76-0
PubChem ID: 53665
InChiKey: WNTRMRXAGJOLCU-UHFFFAOYSA-N
Canonical SMILES: C1(C(=C(C(=O)O1)Cl)C(Cl)Cl)O

Structural Properties:

Molecular Formula: C₅H₃Cl₃O₃
Molecular Weight: 217.43

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 11

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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