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1-Chloro-2-(3-chloro-2-methylpropoxy)benzene (HCID 22048632)|Huagongshe
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Compound
1-Chloro-2-(3-chloro-2-methylpropoxy)benzene
HCID
22048632
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(CCl)COc1ccccc1Cl
InChIKey
NZAXRYZQAGBHAX-UHFFFAOYSA-N
Molecular formula
C10H12Cl2O
Average molar mass
219.1 g/mol
Names & identifiers
Preferred name
1-Chloro-2-(3-chloro-2-methylpropoxy)benzene
IUPAC
1-chloro-2-(3-chloro-2-methylpropoxy)benzene
Names & synonyms
AKOS013553187
Database identifiers
PubChem CID
22048632
Properties
Computed structural properties
XLogP
3.9
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
13
Formal charge
0
Complexity
141
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
106035
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
1215729
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Compound notes
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