4-[(5-Nitro-thien-2-yl)ethynyl]benzonitrile

HCID 19691953
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Basic information

Standard SMILES
N#Cc1ccc(C#Cc2ccc([N+](=O)[O-])s2)cc1
InChIKey
JALIUJGYVINREX-UHFFFAOYSA-N
Molecular formula
C13H6N2O2S
Average molar mass
254.27 g/mol

Names & identifiers

Preferred name
4-[(5-Nitro-thien-2-yl)ethynyl]benzonitrile
IUPAC
4-[2-(5-nitrothiophen-2-yl)ethynyl]benzonitrile

Names & synonyms

4-[(5-nitro-thien-2-yl)ethynyl]benzonitrile188022-37-9SCHEMBL8532934JALIUJGYVINREX-UHFFFAOYSA-NDB-3671814-[(5-nitro-2-thienyl)ethynyl]benzonitrile

Database identifiers

PubChem CID
19691953

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
97.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
18

Related reactions

3 records
New reaction record

Linked notes

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