| CAS Number | 1273671-42-3 |
| Catalog Number | AG01A5W3 |
| Chemical Name | 2-(3-bromo-4-methoxyphenyl)-2-[(trimethylsilyl)oxy]acetonitrile |
| IUPAC Name | 2-(3-bromo-4-methoxyphenyl)-2-trimethylsilyloxyacetonitrile |
| InChI | InChI=1S/C12H16BrNO2Si/c1-15-11-6-5-9(7-10(11)13)12(8-14)16-17(2,3)4/h5-7,12H,1-4H3 |
| InChI Key | MSLJWUFQHHZIRU-UHFFFAOYSA-N |
| MDL Number | MFCD17355038 |
| Molecular Formula | C12H16BrNO2Si |
| Molecular Weight | 314.2504 |
| SMILES | COC1=C(Br)C=C(C(C#N)O[Si](C)(C)C)C=C1 |
| Synonyms | 2-(3-bromo-4-methoxyphenyl)-2-[(trimethylsilyl)oxy]acetonitrile,
1273671-42-3,
AKOS006098862,
IMED992492515,
NE49540,
EN300-130458,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.254g/mol |
| Monoisotopic Mass | 313.013g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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