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3-(12-Bromododecyl)-pyridine

HCID 58017444
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
BrCCCCCCCCCCCCc1cccnc1
InChIKey
QZOOSHKEKNXJKT-UHFFFAOYSA-N
Molecular formula
C17H28BrN
Average molar mass
326.3 g/mol
Monoisotopic mass
325.14051

Names & identifiers

Preferred name
3-(12-Bromododecyl)-pyridine
IUPAC
3-(12-bromododecyl)pyridine

Names & synonyms

SCHEMBL7419673-(12-bromododecyl)-pyridineQZOOSHKEKNXJKT-UHFFFAOYSA-N12-(pyridin-3-yl)-1-bromododecane

Database identifiers

PubChem CID
58017444

Properties

Computed structural properties

XLogP
6.6
Topological polar surface area
12.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
12
Heavy atoms
19
Formal charge
0
Complexity
184

Related reactions

1 records
New reaction record
HRID 243585 reaction equation
HRID 243585As productuspto-grants-2014_02

Compound notes

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