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1-Bromo-3-(1,4-difluoro-butyl)benzene (HCID 57435879)|Huagongshe
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Compound
1-Bromo-3-(1,4-difluoro-butyl)benzene
HCID
57435879
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
FCCCC(F)c1cccc(Br)c1
InChIKey
ADUHRDMMTQNIAL-UHFFFAOYSA-N
Molecular formula
C10H11BrF2
Average molar mass
249.09 g/mol
Names & identifiers
Preferred name
1-Bromo-3-(1,4-difluoro-butyl)benzene
IUPAC
1-bromo-3-(1,4-difluorobutyl)benzene
Names & synonyms
SCHEMBL3456591
ADUHRDMMTQNIAL-UHFFFAOYSA-N
1-bromo-3-(1,4-difluoro-butyl)benzene
Database identifiers
PubChem CID
57435879
Properties
Computed structural properties
XLogP
3.8
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
13
Formal charge
0
Complexity
141
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
30570
As reactant
uspto-grants-2008_09
HRID
1146140
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Compound notes
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