2,5-Dimethyl-4-nitrobenzonitrile
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Product Code | F775796 |
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Product Name | 2,5-Dimethyl-4-nitrobenzonitrile |
CAS | 73713-69-6 |
Purity | 98% |
Molecular weight | 176.175 |
IUPAC Name | 2,5-dimethyl-4-nitrobenzonitrile |
SMILES | CC1=CC(C#N)=C(C)C=C1[N+]([O-])=O |
INCHI Code | InChI=1S/C9H8N2O2/c1-6-4-9(11(12)13)7(2)3-8(6)5-10/h3-4H,1-2H3 |
Asymmetric atoms | 0 |
LogP | 2.796169 |
H bond acceptors | 3 |
H bond donors | 0 |
fsp3 | 0.22222222 |
Concept Codes | Phenyl, Nitrile, Nitro, Methyl, Tolyl, Dimethyl, Nitrobenzene, Cyclic, Aromatic, Benzonitrile |