Mol Weight - 169.017
Smiles - COC(CBr)OC
| Property Name | Property Value |
| Mol Name | Bromo Acetaldehyde Dimethyl Acetal |
| Molweight | 169.017 |
| Monoisotopic Mass | 167.978591 |
| Clogp | 0.5589 |
| Clogs | -1.09 |
| H Acceptors | 2 |
| Total Surface Area | 102.91 |
| Relative Psa | 0.19434 |
| Polar Surface Area | 18.46 |
| Druglikeness | -16.682 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.71429 |
| Molecular Flexibility | 0.55915 |
| Molecular Complexity | 0.4621 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 3 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 2 |
| Smiles | COC(CBr)OC |
| InChIKey | InChI=1S/C4H9BrO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3 |
| InChI | FUSFWUFSEJXMRQ-UHFFFAOYSA-N |
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1 — Bromo Acetaldehyde Dimethyl Acetal | 2 — Bromo Acetaldehyde Dimethyl Acetal