3-nitrophenyl 3-chloro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
3-nitrophenyl 3-chloro-1-benzothiophene-2-carboxylate
3-nitrophenyl 3-chloro-1-benzothiophene-2-carboxylate
Compound characteristics
Compound ID: | 7883-9291 |
Compound Name: | 3-nitrophenyl 3-chloro-1-benzothiophene-2-carboxylate |
Molecular Weight: | 333.75 |
Molecular Formula: | C15 H8 Cl N O4 S |
Smiles: | c1ccc2c(c1)c(c(C(=O)Oc1cccc(c1)[N+]([O-])=O)s2)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.9175 |
logD: | 4.9175 |
logSw: | -5.296 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 54.745 |
InChI Key: | ZQFBTTHUHFXHCF-UHFFFAOYSA-N |