(5-Bromo-2-fluoro-4-methoxy-phenyl)-(3-fluoro-phenyl)-methanone

HCID 22260993

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cc(F)c(C(=O)c2cccc(F)c2)cc1Br
InChIKey: WVXGHTVYSZJPQN-UHFFFAOYSA-N
Molecular formula: C14H9BrF2O2
Average molar mass: 327.12 g/mol

Names & identifiers

Preferred name: (5-Bromo-2-fluoro-4-methoxy-phenyl)-(3-fluoro-phenyl)-methanone
IUPAC: (5-bromo-2-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone

Names & synonyms

SCHEMBL2867334WVXGHTVYSZJPQN-UHFFFAOYSA-N(5-Bromo-2-fluoro-4-methoxy-phenyl)-(3-fluoro-phenyl)-methanone

Database identifiers

PubChem CID: 22260993

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 327

Related reactions

8 records

New reaction record

HRID 111817As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 293622As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 503155As productuspto-grants-2010_08

HRID 503156As reactantuspto-grants-2010_08

HRID 1610111As productuspto-grants-2006_01

HRID 1610112As reactantuspto-grants-2006_01

HRID 1983495As productuspto-grants-2009_06

HRID 1983496As reactantuspto-grants-2009_06

Compound notes

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