| CAS Number | 66916-98-1 |
| Catalog Number | AG01DTTJ(AGN-PC-0NARDZ) |
| Chemical Name | Benzeneacetonitrile, 2-bromo-4-methoxy- |
| IUPAC Name | 2-(2-bromo-4-methoxyphenyl)acetonitrile |
| InChI | InChI=1S/C9H8BrNO/c1-12-8-3-2-7(4-5-11)9(10)6-8/h2-3,6H,4H2,1H3 |
| InChI Key | HGIMMKGDPPDRTN-UHFFFAOYSA-N |
| MDL Number | MFCD18391930 |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.0699 |
| SMILES | BrC1=C(C=CC(=C1)OC)CC#N |
| Synonyms | 2-(2-bromo-4-methoxyphenyl)acetonitrile,
66916-98-1,
AKOS024225079,
CID10799236,
2-(2-bromo-4-methoxy-phenyl)acetonitrile,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.073g/mol |
| Monoisotopic Mass | 224.979g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number