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1-Bromo-3-octene (HCID 104419)|Huagongshe
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Compound
1-Bromo-3-octene
HCID
104419
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Basic information
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Basic information
Standard SMILES
CCCCC=CCCBr
InChIKey
NYKRPDPOVZMFOO-UHFFFAOYSA-N
Molecular formula
C8H15Br
Average molar mass
191.11 g/mol
Monoisotopic mass
190.03571
Names & identifiers
Preferred name
1-Bromo-3-octene
IUPAC
1-bromooct-3-ene
Names & synonyms
1-Bromo-3-octene
SCHEMBL5883383
AKOS017404954
Database identifiers
PubChem CID
104419
Properties
Computed structural properties
XLogP
3.8
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
5
Heavy atoms
9
Formal charge
0
Complexity
67
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Related reactions
1 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
801460
As product
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
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