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4-Bromo-2-fluoro-4'-(trans-4-pentylcyclohexyl)biphenyl

HCID 22465798
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCCCCC1CCC(c2ccc(-c3ccc(Br)cc3F)cc2)CC1
InChIKey
AKVWRLBMYYJBIT-UHFFFAOYSA-N
Molecular formula
C23H28BrF
Average molar mass
403.4 g/mol

Names & identifiers

Preferred name
4-Bromo-2-fluoro-4'-(trans-4-pentylcyclohexyl)biphenyl
IUPAC
4-bromo-2-fluoro-1-[4-(4-pentylcyclohexyl)phenyl]benzene

Names & synonyms

SCHEMBL7663705SCHEMBL7663713AKVWRLBMYYJBIT-IYARVYRRSA-N4-bromo-2-fluoro-4'-(trans-4-pentylcyclohexyl)biphenyl

Database identifiers

PubChem CID
22465798

Properties

Computed structural properties

XLogP
9.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
6
Heavy atoms
25
Formal charge
0
Complexity
368

Related reactions

1 records
New reaction record
HRID 2314074 reaction equation
HRID 2314074As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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