| CAS Number | 749929-35-9 |
| Catalog Number | AG00ICLC(AGN-PC-0WR9Z0) |
| Chemical Name | methyl 2-(4-bromo-2-fluorophenyl)-2-methylpropanoate |
| IUPAC Name | methyl 2-(4-bromo-2-fluorophenyl)-2-methylpropanoate |
| InChI | InChI=1S/C11H12BrFO2/c1-11(2,10(14)15-3)8-5-4-7(12)6-9(8)13/h4-6H,1-3H3 |
| InChI Key | PQQPWIXGTPYTFR-UHFFFAOYSA-N |
| MDL Number | MFCD27578475 |
| Molecular Formula | C11H12BrFO2 |
| Molecular Weight | 275.1142 |
| SMILES | COC(=O)C(c1ccc(cc1F)Br)(C)C |
| Synonyms | methyl 2-(4-bromo-2-fluorophenyl)-2-methylpropanoate,
749929-35-9,
SCHEMBL3993190,
ZINC97756922,
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| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.117g/mol |
| Monoisotopic Mass | 274g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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