1-Bromo-3,5-difluoro-2-methylsulfanylbenzene

HCID 67005163

Notes Reactions

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Basic information

Standard SMILES: CSc1c(F)cc(F)cc1Br
InChIKey: NUZORFHPXPUVGQ-UHFFFAOYSA-N
Molecular formula: C7H5BrF2S
Average molar mass: 239.08 g/mol

Names & identifiers

Preferred name: 1-Bromo-3,5-difluoro-2-methylsulfanylbenzene
IUPAC: 1-bromo-3,5-difluoro-2-methylsulfanylbenzene

Names & synonyms

1-Bromo-3,5-difluoro-2-methylsulfanylbenzene861931-33-1Benzene, 1-bromo-3,5-difluoro-2-(methylthio)-MFCD260452381-bromo-3,5-difluoro-2-methylsulfanyl-benzene(2-bromo-4,6-difluorophenyl)(methyl)sulfaneSCHEMBL1360840NUZORFHPXPUVGQ-UHFFFAOYSA-NAB91677CS-0195436E929881-bromo-3,5-difluoro-2-(methylsulfanyl)benzene

Show more names

F632683

Database identifiers

PubChem CID: 67005163

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 25.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 134

Related reactions

3 records

New reaction record

HRID 954175As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1513933As productuspto-grants-2012_07

HRID 1513934As reactantuspto-grants-2012_07

Compound notes

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