| CAS Number | 1075281-18-3 |
| Catalog Number | AG01BKF4 |
| Chemical Name | Methyl 5-bromo-4-(bromomethyl)-2-methoxybenzoate |
| IUPAC Name | methyl 5-bromo-4-(bromomethyl)-2-methoxybenzoate |
| InChI | InChI=1S/C10H10Br2O3/c1-14-9-3-6(5-11)8(12)4-7(9)10(13)15-2/h3-4H,5H2,1-2H3 |
| InChI Key | DYTNTMQRUUZCGS-UHFFFAOYSA-N |
| MDL Number | MFCD25459843 |
| Molecular Formula | C10H10Br2O3 |
| Molecular Weight | 337.9926 |
| SMILES | COC(C1=C(OC)C=C(CBr)C(Br)=C1)=O |
| Synonyms | 1075281-18-3,
methyl 5-bromo-4-(bromomethyl)-2-methoxybenzoate,
SCHEMBL4237620,
Benzoic acid,5-bromo-4-(bromomethyl)-2-methoxy-,methyl ester,
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| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.898g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.995g/mol |
| Monoisotopic Mass | 335.9g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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