3-methyl-4-(propan-2-yl)phenyl 2-chloro-4-nitrobenzoate
Chemical Structure Depiction of
3-methyl-4-(propan-2-yl)phenyl 2-chloro-4-nitrobenzoate
3-methyl-4-(propan-2-yl)phenyl 2-chloro-4-nitrobenzoate
Compound characteristics
Compound ID: | 2216-0025 |
Compound Name: | 3-methyl-4-(propan-2-yl)phenyl 2-chloro-4-nitrobenzoate |
Molecular Weight: | 333.77 |
Molecular Formula: | C17 H16 Cl N O4 |
Smiles: | CC(C)c1ccc(cc1C)OC(c1ccc(cc1[Cl])[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 5.5849 |
logD: | 5.5849 |
logSw: | -6.0773 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 53.998 |
InChI Key: | GNBQLQOGRFVUPT-UHFFFAOYSA-N |