Mol Weight - 195.055
Smiles - CC(C)(C)OC(CBr)=O
| Property Name | Property Value |
| Mol Name | Tertiary Butyl Bromoacetate |
| Molweight | 195.055 |
| Monoisotopic Mass | 193.994241 |
| Clogp | 1.6353 |
| Clogs | -1.917 |
| H Acceptors | 2 |
| Total Surface Area | 120.83 |
| Relative Psa | 0.19068 |
| Polar Surface Area | 26.3 |
| Druglikeness | -34.97 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.61216 |
| Molecular Complexity | 0.48648 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 3 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 2 |
| Smiles | CC(C)(C)OC(CBr)=O |
| InChIKey | InChI=1S/C6H11BrO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3 |
| InChI | BNWCETAHAJSBFG-UHFFFAOYSA-N |
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1 — Tertiary Butyl Bromoacetate | 2 — Tertiary Butyl Bromoacetate