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1-Benzylsulfanyl-3-bromo-2-trifluoromethyl-benzene

HCID 67155259
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
FC(F)(F)c1c(Br)cccc1SCc1ccccc1
InChIKey
YONVWZHDQPZCER-UHFFFAOYSA-N
Molecular formula
C14H10BrF3S
Average molar mass
347.19 g/mol

Names & identifiers

Preferred name
1-Benzylsulfanyl-3-bromo-2-trifluoromethyl-benzene
IUPAC
1-benzylsulfanyl-3-bromo-2-(trifluoromethyl)benzene

Names & synonyms

1-Benzylsulfanyl-3-bromo-2-trifluoromethyl-benzeneSCHEMBL1770589SCHEMBL31514884

Database identifiers

PubChem CID
67155259

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
25.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Formal charge
0
Complexity
276

Related reactions

4 records
New reaction record
HRID 123090 reaction equation
HRID 123090As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 317891 reaction equation
HRID 317891As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 389654 reaction equation
HRID 389654As productuspto-grants-2013_02
HRID 389655 reaction equation
HRID 389655As reactantuspto-grants-2013_02

Compound notes

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