2-Bromo-1-[3,5-difluoro-4-(methylthio)-phenyl]ethanone

HCID 22745804

Notes Reactions

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Basic information

Standard SMILES: CSc1c(F)cc(C(=O)CBr)cc1F
InChIKey: SHDWBHOBJXRHOW-UHFFFAOYSA-N
Molecular formula: C9H7BrF2OS
Average molar mass: 281.12 g/mol

Names & identifiers

Preferred name: 2-Bromo-1-[3,5-difluoro-4-(methylthio)-phenyl]ethanone
IUPAC: 2-bromo-1-(3,5-difluoro-4-methylsulfanylphenyl)ethanone

Names & synonyms

SCHEMBL6729495SHDWBHOBJXRHOW-UHFFFAOYSA-N2-bromo-1-[3,5- difluoro-4-(methylthio)-phenyl]ethanone2-bromo-1-[3,5-difluoro-4-(methylthio)-phenyl]ethanone

Database identifiers

PubChem CID: 22745804

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 42.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 203

Related reactions

5 records

New reaction record

HRID 47641As productuspto-grants-2004_03

HRID 47642As reactantuspto-grants-2004_03

HRID 306855As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1838498As productuspto-grants-2004_01

HRID 1838499As reactantuspto-grants-2004_01

Compound notes

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