| CAS Number | 885276-33-5 |
| Catalog Number | AG00IF5G |
| Chemical Name | Methyl 2,3-dibromo-3,3-difluoropropionate |
| IUPAC Name | methyl 2,3-dibromo-3,3-difluoropropanoate |
| InChI | InChI=1S/C4H4Br2F2O2/c1-10-3(9)2(5)4(6,7)8/h2H,1H3 |
| InChI Key | XXFZHIIUXZPTPM-UHFFFAOYSA-N |
| MDL Number | MFCD07784249 |
| Molecular Formula | C4H4Br2F2O2 |
| Molecular Weight | 281.8782 |
| SMILES | COC(=O)C(Br)C(F)(F)Br |
| Synonyms | Methyl 2,3-Dibromo-3,3-difluoropropionate,
885276-33-5,
methyl 2,3-dibromo-3,3-difluoropropanoate,
DTXSID30663086,
MFCD07784249,
FCH1386014,
PC32746,
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| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.853g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.879g/mol |
| Monoisotopic Mass | 279.855g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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