3-Bromo-6-chloro-2-fluorophenol

HCID 66601002

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Oc1c(Cl)ccc(Br)c1F
InChIKey: WMKQZAWRLMLCRO-UHFFFAOYSA-N
Molecular formula: C6H3BrClFO
Average molar mass: 225.44 g/mol

Names & identifiers

Preferred name: 3-Bromo-6-chloro-2-fluorophenol
IUPAC: 3-bromo-6-chloro-2-fluorophenol

Names & synonyms

3-Bromo-6-chloro-2-fluorophenol943830-14-6MFCD115206803-Bromo-6-chloro-2-fluoro-phenolSCHEMBL118745WMKQZAWRLMLCRO-UHFFFAOYSA-N3-bromo-6-chloro-2-fluorophenol?AKOS022181488AS-60672DB-366274CS-0060314H11196

Database identifiers

PubChem CID: 66601002

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 124

Related reactions

35 records

New reaction record

HRID 171748As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 285249As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 287033As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 303750As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 495015As productuspto-grants-2009_05

HRID 495016As reactantuspto-grants-2009_05

HRID 495019As reactantuspto-grants-2009_05

HRID 870967As productuspto-grants-2015_03

Compound notes

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