2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1H-benzimidazole
Chemical Structure Depiction of
2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1H-benzimidazole
2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1H-benzimidazole
Compound characteristics
Compound ID: | 0250-0045 |
Compound Name: | 2-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-2,3-dihydro-1H-benzimidazole |
Molecular Weight: | 306.53 |
Molecular Formula: | C10 H6 Cl3 N3 O2 |
Smiles: | c1ccc2c(c1)NC(=C(C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)N2 |
Stereo: | ACHIRAL |
logP: | 3.9472 |
logD: | 3.937 |
logSw: | -4.3291 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 55.115 |
InChI Key: | NMWNNVAECBLGFO-UHFFFAOYSA-N |