3-Bromo-2-(1-octynyl)thiophene

HCID 20147166
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Basic information

Standard SMILES
CCCCCCC#Cc1sccc1Br
InChIKey
ZKNVBJOAFBOCRR-UHFFFAOYSA-N
Molecular formula
C12H15BrS
Average molar mass
271.22 g/mol
Monoisotopic mass
270.00778

Names & identifiers

Preferred name
3-Bromo-2-(1-octynyl)thiophene
IUPAC
3-bromo-2-oct-1-ynylthiophene

Names & synonyms

SCHEMBL106665883-Bromo-2-(1-octynyl)thiopheneZKNVBJOAFBOCRR-UHFFFAOYSA-N

Database identifiers

PubChem CID
20147166

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
28.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
14

Related reactions

2 records
New reaction record

Compound notes

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