methyl 3-(3-chloro-5'-nitro-2'H-[1,3'-bi-1,2,4-triazol]-2'-yl)propanoate
Chemical Structure Depiction of
methyl 3-(3-chloro-5'-nitro-2'H-[1,3'-bi-1,2,4-triazol]-2'-yl)propanoate
methyl 3-(3-chloro-5'-nitro-2'H-[1,3'-bi-1,2,4-triazol]-2'-yl)propanoate
Compound characteristics
| Compound ID: | 8015-7552 |
| Compound Name: | methyl 3-(3-chloro-5'-nitro-2'H-[1,3'-bi-1,2,4-triazol]-2'-yl)propanoate |
| Molecular Weight: | 301.65 |
| Molecular Formula: | C8 H8 Cl N7 O4 |
| Smiles: | COC(CCn1c(nc(n1)[N+]([O-])=O)n1cnc(n1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 0.1558 |
| logD: | 0.1558 |
| logSw: | -1.7201 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 100.376 |
| InChI Key: | HHWWVPWIWSLLGO-UHFFFAOYSA-N |