Chemical Name - 3-Bromobenzaldehyde
Mol Weight - 185.02
Smiles - O=Cc1cccc(Br)c1
Mol Weight - 185.02
Smiles - O=Cc1cccc(Br)c1
| Property Value | |
| Mol Name | 3-Bromobenzaldehyde |
| Molweight | 185.02 |
| Monoisotopic Mass | 183.952376 |
| Clogp | 2.3181 |
| Clogs | -2.774 |
| H Acceptors | 1 |
| Total Surface Area | 111.43 |
| Relative Psa | 0.11702 |
| Polar Surface Area | 17.07 |
| Druglikeness | -6.015 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.33178 |
| Molecular Complexity | 0.67701 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Smiles | O=Cc1cccc(Br)c1 |
| InChIKey | InChI=1S/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5H |
| InChI | SUISZCALMBHJQX-UHFFFAOYSA-N |
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1 - 3-Bromobenzaldehyde
2 - 3-Bromobenzaldehyde
1 - 3-Bromobenzaldehyde
2 - 3-Bromobenzaldehyde
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