2-Bromo-1-Phenylethanone
Representations & DB's id
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| ChEBI: | CHEBI:51846 | |
|---|---|---|
| ChEMBL: | CHEMBL102953 | |
| PubChem: | 6259 | |
| IUPAC: | 2-bromo-1-phenylethanone | |
| Standard InChI: | InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2 | |
| Standard InChI Key: | LIGACIXOYTUXAW-UHFFFAOYSA-N | |
| SMILES: | BrCC(=O)c1ccccc1 | |
Molecular propeties
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| AlogP: | 2.26 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 197.97 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.125 | |
| Number of carbons: | 8 | |