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4-Bromo-3-(tetrahydropyran-2-yloxy)benzyl bromide

HCID 16747842
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
BrCc1ccc(Br)c(OC2CCCCO2)c1
InChIKey
LSHFTBBTEHEIKF-UHFFFAOYSA-N
Molecular formula
C12H14Br2O2
Average molar mass
350.05 g/mol
Monoisotopic mass
347.93605

Names & identifiers

Preferred name
4-Bromo-3-(tetrahydropyran-2-yloxy)benzyl bromide
IUPAC
2-[2-bromo-5-(bromomethyl)phenoxy]oxane

Names & synonyms

SCHEMBL2060182LSHFTBBTEHEIKF-UHFFFAOYSA-N4-bromo-3-(tetrahydropyran-2-yloxy)benzyl bromide

Database identifiers

PubChem CID
16747842

Properties

Computed structural properties

XLogP
4
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
213

Related reactions

4 records
New reaction record
HRID 115983 reaction equation
HRID 115983As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1685659 reaction equation
HRID 1685659As productuspto-grants-2012_04
HRID 1685660 reaction equation
HRID 1685660As reactantuspto-grants-2012_04
HRID 2143518 reaction equation
HRID 2143518As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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