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1-Bromo-3-ethoxy-4-propoxybenzene

HCID 21995730
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCCOc1ccc(Br)cc1OCC
InChIKey
JCDAIYQGJVPJHM-UHFFFAOYSA-N
Molecular formula
C11H15BrO2
Average molar mass
259.14 g/mol

Names & identifiers

Preferred name
1-Bromo-3-ethoxy-4-propoxybenzene
IUPAC
4-bromo-2-ethoxy-1-propoxybenzene

Names & synonyms

SCHEMBL7931152JCDAIYQGJVPJHM-UHFFFAOYSA-N1-bromo-3-ethoxy-4-propoxybenzene

Database identifiers

PubChem CID
21995730

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
14
Formal charge
0
Complexity
152

Related reactions

2 records
New reaction record
HRID 1204756 reaction equation
HRID 1204756As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1978740 reaction equation
HRID 1978740As productuspto-grants-2001_05

Compound notes

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