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2-Allyloxymethyl-6-bromomethylpyridine (HCID 21874584)|Huagongshe
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Compound
2-Allyloxymethyl-6-bromomethylpyridine
HCID
21874584
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Basic information
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Properties
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Compound notes
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Basic information
Standard SMILES
C=CCOCc1cccc(CBr)n1
InChIKey
RYJSYJGNIDNZCR-UHFFFAOYSA-N
Molecular formula
C10H12BrNO
Average molar mass
242.11 g/mol
Monoisotopic mass
241.01023
Names & identifiers
Preferred name
2-Allyloxymethyl-6-bromomethylpyridine
IUPAC
2-(bromomethyl)-6-(prop-2-enoxymethyl)pyridine
Names & synonyms
SCHEMBL3269661
RYJSYJGNIDNZCR-UHFFFAOYSA-N
2-Allyloxymethyl-6-bromomethylpyridine
Database identifiers
PubChem CID
21874584
Properties
Computed structural properties
XLogP
1.8
Topological polar surface area
22.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
13
Formal charge
0
Complexity
152
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
271279
As product
uspto-grants-2008_11
HRID
825829
As product
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
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