Mol Weight - 235.464
Smiles - OC(c(cc(cc1)Br)c1Cl)=O
| Property Name | Property Value |
| Mol Name | 5-Bromo-2-Chlorobenzoic Acid |
| Molweight | 235.464 |
| Monoisotopic Mass | 233.908318 |
| Clogp | 2.4759 |
| Clogs | -3.199 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 131.41 |
| Relative Psa | 0.19892 |
| Polar Surface Area | 37.3 |
| Druglikeness | -3.4721 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.54545 |
| Molecular Flexibility | 0.35822 |
| Molecular Complexity | 0.73778 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Acidic Oxygens | 1 |
| Smiles | OC(c(cc(cc1)Br)c1Cl)=O |
| InChIKey | InChI=1S/C7H4BrClO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11) |
| InChI | FGERXQWKKIVFQG-UHFFFAOYSA-N |
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1 — 5-Bromo-2-Chlorobenzoic Acid | 2 — 5-Bromo-2-Chlorobenzoic Acid