Chemical Name - 4-Bromo-o-xylene
Mol Weight - 185.063
Smiles - Cc(cc1)c(C)cc1Br
Mol Weight - 185.063
Smiles - Cc(cc1)c(C)cc1Br
| Property Value | |
| Mol Name | 4-Bromo-o-xylene |
| Molweight | 185.063 |
| Monoisotopic Mass | 183.988761 |
| Clogp | 3.0726 |
| Clogs | -3.138 |
| Total Surface Area | 116.41 |
| Druglikeness | -4.2499 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Complexity | 0.72259 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Smiles | Cc(cc1)c(C)cc1Br |
| InChIKey | InChI=1S/C8H9Br/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3 |
| InChI | QOGHRLGTXVMRLM-UHFFFAOYSA-N |
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1 - 4-Bromo-o-xylene
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1 - 4-Bromo-o-xylene
2 - 4-Bromo-o-xylene
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