| CAS Number | 2092263-35-7 |
| Catalog Number | AG01DTSF |
| Chemical Name | Methyl 2-amino-3,5-dibromo-4-methoxybenzoate |
| IUPAC Name | methyl 2-amino-3,5-dibromo-4-methoxybenzoate |
| InChI | InChI=1S/C9H9Br2NO3/c1-14-8-5(10)3-4(9(13)15-2)7(12)6(8)11/h3H,12H2,1-2H3 |
| InChI Key | DAZCUHABNJUDOC-UHFFFAOYSA-N |
| MDL Number | MFCD30179526 |
| Molecular Formula | C9H9Br2NO3 |
| Molecular Weight | 338.9807 |
| SMILES | O=C(OC)C1=CC(Br)=C(OC)C(Br)=C1N |
| Synonyms | methyl 2-amino-3,5-dibromo-4-methoxybenzoate,
2092263-35-7,
STL450363,
AKOS027470730,
ZINC334161643,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.893g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.983g/mol |
| Monoisotopic Mass | 336.895g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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