| CAS Number | 1041205-21-3 |
| Catalog Number | AG019EMA |
| Chemical Name | methyl 4-bromo-3-ethoxybenzoate |
| IUPAC Name | methyl 4-bromo-3-ethoxybenzoate |
| InChI | InChI=1S/C10H11BrO3/c1-3-14-9-6-7(10(12)13-2)4-5-8(9)11/h4-6H,3H2,1-2H3 |
| InChI Key | JLGQGWFJXDBERO-UHFFFAOYSA-N |
| MDL Number | MFCD20486187 |
| Molecular Formula | C10H11BrO3 |
| Molecular Weight | 259.0965 |
| SMILES | CCOc1cc(ccc1Br)C(=O)OC |
| Synonyms | methyl 4-bromo-3-ethoxybenzoate,
1041205-21-3,
A1-02549,
SCHEMBL733132,
JLGQGWFJXDBERO-UHFFFAOYSA-N,
MFCD20486187,
ZINC114476687,
DA-16016,
4-Bromo-3-ethoxy-benzoic acid methyl ester,
CS-0061889,
FT-0707288,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.099g/mol |
| Monoisotopic Mass | 257.989g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number