4-[cyano(4-methylphenyl)methyl]-5-nitrobenzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-[cyano(4-methylphenyl)methyl]-5-nitrobenzene-1,2-dicarbonitrile
4-[cyano(4-methylphenyl)methyl]-5-nitrobenzene-1,2-dicarbonitrile
Compound characteristics
Compound ID: | 8020-3070 |
Compound Name: | 4-[cyano(4-methylphenyl)methyl]-5-nitrobenzene-1,2-dicarbonitrile |
Molecular Weight: | 302.29 |
Molecular Formula: | C17 H10 N4 O2 |
Smiles: | Cc1ccc(cc1)C(C#N)c1cc(C#N)c(C#N)cc1[N+]([O-])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.3665 |
logD: | 3.3665 |
logSw: | -3.7945 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 84.216 |
InChI Key: | XVXYGDCQEOBMKX-INIZCTEOSA-N |