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4'-(3-Bromo-benzyloxy)-4,5-difluoro-2-methoxy-biphenyl

HCID 67153750
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(F)c(F)cc1-c1ccc(OCc2cccc(Br)c2)cc1
InChIKey
JIHZBSMNWKSEOU-UHFFFAOYSA-N
Molecular formula
C20H15BrF2O2
Average molar mass
405.2 g/mol

Names & identifiers

Preferred name
4'-(3-Bromo-benzyloxy)-4,5-difluoro-2-methoxy-biphenyl
IUPAC
1-[4-[(3-bromophenyl)methoxy]phenyl]-4,5-difluoro-2-methoxybenzene

Names & synonyms

SCHEMBL1766975JIHZBSMNWKSEOU-UHFFFAOYSA-N4'-(3-bromo-benzyloxy)-4,5-difluoro-2-methoxy-biphenyl

Database identifiers

PubChem CID
67153750

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Formal charge
0
Complexity
403

Related reactions

4 records
New reaction record
HRID 547853 reaction equation
HRID 547853As reactantuspto-grants-2011_05
HRID 547854 reaction equation
HRID 547854As reactantuspto-grants-2011_05
HRID 696295 reaction equation
HRID 696295As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1569521 reaction equation
HRID 1569521As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes