1-butoxy-1-oxopropan-2-yl 2-chloro-4-nitrobenzoate
Chemical Structure Depiction of
1-butoxy-1-oxopropan-2-yl 2-chloro-4-nitrobenzoate
1-butoxy-1-oxopropan-2-yl 2-chloro-4-nitrobenzoate
Compound characteristics
Compound ID: | 0526-5739 |
Compound Name: | 1-butoxy-1-oxopropan-2-yl 2-chloro-4-nitrobenzoate |
Molecular Weight: | 329.73 |
Molecular Formula: | C14 H16 Cl N O6 |
Smiles: | CCCCOC(C(C)OC(c1ccc(cc1[Cl])[N+]([O-])=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8533 |
logD: | 3.8533 |
logSw: | -4.4005 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 75.087 |
InChI Key: | CWHQFHBKGSFMGE-VIFPVBQESA-N |