| CAS Number | 773134-13-7 |
| Catalog Number | AG01EL8B |
| Chemical Name | Methyl 4-Bromo-2,3,6-Trifluorobenzoate |
| IUPAC Name | methyl 4-bromo-2,3,6-trifluorobenzoate |
| InChI | InChI=1S/C8H4BrF3O2/c1-14-8(13)5-4(10)2-3(9)6(11)7(5)12/h2H,1H3 |
| InChI Key | JFIQLTMOLNNWDH-UHFFFAOYSA-N |
| MDL Number | MFCD06204171 |
| Molecular Formula | C8H4BrF3O2 |
| Molecular Weight | 269.0154 |
| SMILES | COC(C1=C(F)C(F)=C(Br)C=C1F)=O |
| Synonyms | methyl 4-bromo-2,3,6-trifluorobenzoate,
773134-13-7,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.017g/mol |
| Monoisotopic Mass | 267.935g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number