1-(4'-Chloro-2'-fluoro-1,1'-biphenyl-2-yl)ethanone

HCID 22482322

Notes Reactions

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Basic information

Standard SMILES: CC(=O)c1ccccc1-c1ccc(Cl)cc1F
InChIKey: MKFZCXIYCQPKLL-UHFFFAOYSA-N
Molecular formula: C14H10ClFO
Average molar mass: 248.68 g/mol
Monoisotopic mass: 248.0404208

Names & identifiers

Preferred name: 1-(4'-Chloro-2'-fluoro-1,1'-biphenyl-2-yl)ethanone
IUPAC: 1-[2-(4-chloro-2-fluorophenyl)phenyl]ethanone

Names & synonyms

1-(4'-Chloro-2'-fluoro-[1,1'-biphenyl]-2-yl)ethanoneSCHEMBL3856165MKFZCXIYCQPKLL-UHFFFAOYSA-NAKOS018761873A1-977141-(4'-Chloro-2'-fluoro-1,1'-biphenyl-2-yl)ethanone705566-46-7

Database identifiers

PubChem CID: 22482322

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 281

Related reactions

4 records

New reaction record

HRID 166663As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1151245As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2181925As productuspto-grants-2005_05

HRID 2181926As reactantuspto-grants-2005_05

Compound notes

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