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Dimethyl 5-(bromomethyl)isophthalate
| Catalog Number | ACM42268882-2 |
| CAS | 42268-88-2 |
| Structure |  |
| IUPAC Name | dimethyl 5-(bromomethyl)benzene-1,3-dicarboxylate |
| Synonyms | 1,3-Dimethyl 5-(Bromomethyl)Benzene-1,3-Dicarboxylate |
| Molecular Weight | 287.10 |
| Molecular Formula | C11H11BrO4 |
| Canonical SMILES | COC(=O)C1=CC(=CC(=C1)CBr)C(=O)OC |
| InChI | InChI=1S/C11H11BrO4/c1-15-10(13)8-3-7(6-12)4-9(5-8)11(14)16-2/h3-5H,6H2,1-2H3 |
| InChI Key | SVXVCUVXGMLDJC-UHFFFAOYSA-N |
| Purity | 95%+ |
| Appearance | White powder |
| Complexity | 243 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 285.98407g/mol |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Monoisotopic Mass | 285.98407g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.6Ų |
| X Log P3 | 2.2 |
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