| CAS Number | 908248-31-7 |
| Catalog Number | AG00IGB1(AGN-PC-0WR9ZG) |
| Chemical Name | 4-Bromo-2-fluoro-3-methoxy-benzoic acid methyl ester |
| IUPAC Name | methyl 4-bromo-2-fluoro-3-methoxybenzoate |
| InChI | InChI=1S/C9H8BrFO3/c1-13-8-6(10)4-3-5(7(8)11)9(12)14-2/h3-4H,1-2H3 |
| InChI Key | QZTZFGXVYPYHCG-UHFFFAOYSA-N |
| MDL Number | MFCD23707520 |
| Molecular Formula | C9H8BrFO3 |
| Molecular Weight | 263.0604 |
| SMILES | COC(=O)c1ccc(c(c1F)OC)Br |
| Synonyms | 4-Bromo-2-fluoro-3-methoxy-benzoic acid methyl ester,
908248-31-7,
SCHEMBL3585020,
ZINC97756797,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.062g/mol |
| Monoisotopic Mass | 261.964g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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