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4-Bromo-3-chloro-(3-ethoxypropoxy)benzene (HCID 21995744)|Huagongshe
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Compound
4-Bromo-3-chloro-(3-ethoxypropoxy)benzene
HCID
21995744
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CCOCCCOc1ccc(Br)c(Cl)c1
InChIKey
CGQOWEWSEWZHSX-UHFFFAOYSA-N
Molecular formula
C11H14BrClO2
Average molar mass
293.58 g/mol
Names & identifiers
Preferred name
4-Bromo-3-chloro-(3-ethoxypropoxy)benzene
IUPAC
1-bromo-2-chloro-4-(3-ethoxypropoxy)benzene
Names & synonyms
SCHEMBL7931313
CGQOWEWSEWZHSX-UHFFFAOYSA-N
4-bromo-3-chloro-(3-ethoxypropoxy)benzene
Database identifiers
PubChem CID
21995744
Properties
Computed structural properties
XLogP
3.8
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
15
Formal charge
0
Complexity
169
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
177359
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
1978749
As product
uspto-grants-2001_05
Compound notes
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