Mol Weight - 182.649
Smiles - Cc1cc(CC(Cl)=O)c(C)cc1
InChI - PZRANTBLOIKHJY-UHFFFAOYSA-N
InChIKey - InChI=1S/C10H11ClO/c1-7-3-4-8(2)9(5-7)6-10(11)12/h3-5H,6H2,1-2H3
| Property Name | Property Value |
| Mol Name | 2,5-Dimethyl Phenyl Acetyl Chloride |
| Molweight | 182.649 |
| Monoisotopic Mass | 182.049842 |
| Clogp | 2.2125 |
| Clogs | -2.358 |
| H Acceptors | 1 |
| Total Surface Area | 144.71 |
| Relative Psa | 0.090111 |
| Polar Surface Area | 17.07 |
| Druglikeness | -13.768 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Shape Index | 0.58333 |
| Molecular Flexibility | 0.4435 |
| Molecular Complexity | 0.652 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 3 |
| Smiles | Cc1cc(CC(Cl)=O)c(C)cc1 |
| InChIKey | InChI=1S/C10H11ClO/c1-7-3-4-8(2)9(5-7)6-10(11)12/h3-5H,6H2,1-2H3 |
| InChI | PZRANTBLOIKHJY-UHFFFAOYSA-N |
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1 — 2,5-Dimethyl Phenyl Acetyl Chloride | 2 — 2,5-Dimethyl Phenyl Acetyl Chloride