3-Chloro-2-cyanopyrazine 1-oxide

HCID 10796992
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Basic information

Standard SMILES
N#Cc1c(Cl)ncc[n+]1[O-]
InChIKey
NBIKRVDVBWHBCR-UHFFFAOYSA-N
Molecular formula
C5H2ClN3O
Average molar mass
155.54 g/mol

Names & identifiers

Preferred name
3-Chloro-2-cyanopyrazine 1-oxide
IUPAC
3-chloro-1-oxidopyrazin-1-ium-2-carbonitrile

Names & synonyms

3-Chloro-2-cyanopyrazine 1-oxide208993-98-0SCHEMBL7672227NBIKRVDVBWHBCR-UHFFFAOYSA-N3-chloro-2-cyanopyrazine-1-oxide2-Chloro-3-cyano-pyrazine-4-oxide3-chloro-2-pyrazinecarbonitrile 1-oxideDB-128300

Database identifiers

PubChem CID
10796992

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
62.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
10

Related reactions

5 records
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Compound notes

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