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1-Bromo-4-(2-hexyloxyethoxy)benzene

HCID 21995673
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCCCCCOCCOc1ccc(Br)cc1
InChIKey
KYBIQRGULNPUST-UHFFFAOYSA-N
Molecular formula
C14H21BrO2
Average molar mass
301.22 g/mol

Names & identifiers

Preferred name
1-Bromo-4-(2-hexyloxyethoxy)benzene
IUPAC
1-bromo-4-(2-hexoxyethoxy)benzene

Names & synonyms

SCHEMBL7930618KYBIQRGULNPUST-UHFFFAOYSA-N1-bromo-4-(2-hexyloxyethoxy)benzeneAKOS012764651

Database identifiers

PubChem CID
21995673

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
9
Heavy atoms
17
Formal charge
0
Complexity
168

Related reactions

2 records
New reaction record
HRID 147912 reaction equation
HRID 147912As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1978712 reaction equation
HRID 1978712As productuspto-grants-2001_05

Compound notes

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