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3-[4-(5-Bromo-2-fluoro-benzyl)-phenoxy]-oxetane

HCID 66615947
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1ccc(Br)cc1Cc1ccc(OC2COC2)cc1
InChIKey
HOUIEBDTDQWWGD-UHFFFAOYSA-N
Molecular formula
C16H14BrFO2
Average molar mass
337.18 g/mol

Names & identifiers

Preferred name
3-[4-(5-Bromo-2-fluoro-benzyl)-phenoxy]-oxetane
IUPAC
3-[4-[(5-bromo-2-fluorophenyl)methyl]phenoxy]oxetane

Names & synonyms

SCHEMBL181201HOUIEBDTDQWWGD-UHFFFAOYSA-N3-[4-(5-bromo-2-fluoro-benzyl)-phenoxy]-oxetane

Database identifiers

PubChem CID
66615947

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
303

Related reactions

3 records
New reaction record
HRID 659884 reaction equation
HRID 659884As productuspto-grants-2011_12
HRID 659901 reaction equation
HRID 659901As reactantuspto-grants-2011_12
HRID 2150088 reaction equation
HRID 2150088As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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