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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:38218 - isophthalonitrile
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ChEBI Ontology
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ChEBI Name
isophthalonitrile
ChEBI ID
CHEBI:38218
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C8H4N2
Net Charge
0
Average Mass
128.13084
Monoisotopic Mass
128.03745
InChI
InChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H
InChIKey
LAQPNDIUHRHNCV-UHFFFAOYSA-N
SMILES
N#Cc1cccc(c1)C#N
ChEBI Ontology
Outgoing
isophthalonitrile (
CHEBI:38218
)
has functional parent
isophthalic acid (
CHEBI:30802
)
isophthalonitrile (
CHEBI:38218
)
is a
nitrile (
CHEBI:18379
)
Incoming
4-hydroxychlorothalonil (
CHEBI:133542
)
has functional parent
isophthalonitrile (
CHEBI:38218
)
chlorothalonil (
CHEBI:3639
)
has functional parent
isophthalonitrile (
CHEBI:38218
)
IUPAC Name
benzene-1,3-dicarbonitrile
Synonyms
Sources
1,3-Benzenedicarbonitrile
NIST Chemistry WebBook
1,3-Dicyanobenzene
ChemIDplus
3-Cyanobenzonitrile
ChemIDplus
IPN
NIST Chemistry WebBook
Isophthalodinitrile
NIST Chemistry WebBook
m-Dicyanobenzene
ChemIDplus
Registry Numbers
Types
Sources
2038364
Beilstein Registry Number
Beilstein
626-17-5
CAS Registry Number
ChemIDplus
626-17-5
CAS Registry Number
NIST Chemistry WebBook
Last Modified
30 September 2016