| CAS Number | 1820684-72-7 |
| Catalog Number | AG00I0U2 |
| Chemical Name | Methyl 5-bromo-2-fluoro-3-methoxybenzoate |
| IUPAC Name | methyl 5-bromo-2-fluoro-3-methoxybenzoate |
| InChI | InChI=1S/C9H8BrFO3/c1-13-7-4-5(10)3-6(8(7)11)9(12)14-2/h3-4H,1-2H3 |
| InChI Key | GPGFMRUTTAZCNO-UHFFFAOYSA-N |
| MDL Number | MFCD28166412 |
| Molecular Formula | C9H8BrFO3 |
| Molecular Weight | 263.0604 |
| SMILES | COC(=O)c1cc(Br)cc(c1F)OC |
| Synonyms | Methyl 5-bromo-2-fluoro-3-methoxybenzoate,
1820684-72-7,
SCHEMBL20397117,
MFCD28166412,
ZINC216708531,
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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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