| CAS Number | 83739-62-2 |
| Catalog Number | AG01B8WM |
| Chemical Name | 1-(2-bromo-1-methoxyethyl)-4-chlorobenzene |
| IUPAC Name | 1-(2-bromo-1-methoxyethyl)-4-chlorobenzene |
| InChI | InChI=1S/C9H10BrClO/c1-12-9(6-10)7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3 |
| InChI Key | DZAIEYPTUYWTGB-UHFFFAOYSA-N |
| MDL Number | MFCD16680784 |
| Molecular Formula | C9H10BrClO |
| Molecular Weight | 249.5321 |
| SMILES | COC(C1=CC=C(Cl)C=C1)CBr |
| Synonyms | 1-(2-bromo-1-methoxyethyl)-4-chlorobenzene,
83739-62-2,
AKOS011393415,
2-bromo-1-methoxy-1-(4-chlorophenyl)ethane,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.532g/mol |
| Monoisotopic Mass | 247.96g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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