| CAS Number | 125714-92-3 |
| Catalog Number | AG00HIFX(AGN-PC-0WRA41) |
| Chemical Name | 1,5-Dibromo-2-(bromomethyl)-4-methoxybenzene |
| IUPAC Name | 1,5-dibromo-2-(bromomethyl)-4-methoxybenzene |
| InChI | InChI=1S/C8H7Br3O/c1-12-8-2-5(4-9)6(10)3-7(8)11/h2-3H,4H2,1H3 |
| InChI Key | VIARZERTVLGFLY-UHFFFAOYSA-N |
| MDL Number | MFCD30527661 |
| Molecular Formula | C8H7Br3O |
| Molecular Weight | 358.8526 |
| SMILES | COc1cc(CBr)c(cc1Br)Br |
| Synonyms | 1,5-dibromo-2-(bromomethyl)-4-methoxybenzene,
125714-92-3,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.803g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.855g/mol |
| Monoisotopic Mass | 355.805g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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