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4-Chloro-3-nitrobenzonitrile-[U-Ring-13C6]

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General Information
Catalog: BLP-001542
Molecular Formula: C[13C]6H3ClN2O2
Molecular Weight: 188.52

Chemical Structure

Description	4-Chloro-3-nitrobenzonitrile-[U-Ring-13C6] is a stable isotope compound of 4-Chloro-3-nitrobenzonitrile.
IUPAC Name	4-chloro-3-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbonitrile
Related CAS	939-80-0 (unlabelled)
Canonical SMILES	C1=CC(=C(C=C1C#N)[N+](=O)[O-])Cl
InChI	InChI=1S/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H/i1+1,2+1,3+1,5+1,6+1,7+1
InChI Key	XBLPHYSLHRGMNW-JTZKEMBVSA-N
Purity	98%; 99% atom 13C