2,5-Dimethyl-4-nitrobenzonitrile

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CAS73713-69-6
Purity%
Product CodeF775796
Product Name2,5-Dimethyl-4-nitrobenzonitrile
CAS73713-69-6
Purity98%
Molecular weight176.175
IUPAC Name2,5-dimethyl-4-nitrobenzonitrile
SMILESCC1=CC(C#N)=C(C)C=C1[N+]([O-])=O
INCHI CodeInChI=1S/C9H8N2O2/c1-6-4-9(11(12)13)7(2)3-8(6)5-10/h3-4H,1-2H3
Asymmetric atoms0
LogP2.796169
H bond acceptors3
H bond donors0
fsp30.22222222
Concept CodesPhenyl, Nitrile, Nitro, Methyl, Tolyl, Dimethyl, Nitrobenzene, Cyclic, Aromatic, Benzonitrile