Mol Weight - 161.031
Smiles - ClCc(cccc1)c1Cl
InChI - BASMANVIUSSIIM-UHFFFAOYSA-N
InChIKey - InChI=1S/C7H6Cl2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
| Property Name | Property Value |
| Mol Name | Ortho Chloro Benzyl Chloride |
| Molweight | 161.031 |
| Monoisotopic Mass | 159.984654 |
| Clogp | 2.7997 |
| Clogs | -3.47 |
| Total Surface Area | 117.86 |
| Druglikeness | -2.365 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.28257 |
| Molecular Complexity | 0.7083 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Smiles | ClCc(cccc1)c1Cl |
| InChIKey | InChI=1S/C7H6Cl2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2 |
| InChI | BASMANVIUSSIIM-UHFFFAOYSA-N |
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1 — Ortho Chloro Benzyl Chloride | 2 — Ortho Chloro Benzyl Chloride