3-Bromo-4-methoxyphenylacetonitrile
2-(3-bromo-4-methoxyphenyl)acetonitrile
Also Known As: 3-Bromo-4-methoxyphenylacetonitrile|2-(3-bromo-4-methoxyphenyl)acetonitrile|2-aminopurine|3-Bromo-4-methoxybenzyl Cyanide|ACMC-209p8t|(3-Bromo-4-methoxyphenyl)acetonitrile|2'-Chloro-4'-fluoroacetanilide|Benzeneacetonitrile, 3-bromo-4-methoxy-|9540AE|TN7190|FS-1521|(3-Bromo-4-methoxy-phenyl)-acetonitrile|2-(3-bromo-4-methoxyphenyl)ethanenitrile|2-(3-bromo-4-methoxy-phenyl)acetonitrile|(3-Bromo-4-methoxyphenyl)acetonitrile AldrichCPR|I14-25972
| Molecular Formula | C9H8BrNO |
|---|---|
| Molecular Weight | 224.97893 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.97893 |
| Monoisotopic Mass | 224.97893 |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 399-35-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC#N)Br |
| InChIKey | OBJKHHRZMIIEOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-4-methoxyphenylacetonitrile (CAS 399-35-9), with molecular formula C9H8BrNO and molecular weight 224.97893 g/mol. IUPAC: 2-(3-bromo-4-methoxyphenyl)acetonitrile.