| CAS Number | 99953-33-0 |
| Catalog Number | AG01FDA7(AGN-PC-0OPB7R) |
| Chemical Name | Methyl 3-bromo-2,2-difluoropropionate |
| IUPAC Name | methyl 3-bromo-2,2-difluoropropanoate |
| InChI | InChI=1S/C4H5BrF2O2/c1-9-3(8)4(6,7)2-5/h2H2,1H3 |
| InChI Key | ZHPUJTGFHOCWAD-UHFFFAOYSA-N |
| MDL Number | MFCD21606733 |
| Molecular Formula | C4H5BrF2O2 |
| Molecular Weight | 202.9821 |
| SMILES | BrCC(C(=O)OC)(F)F |
| Synonyms | Methyl 3-bromo-2,2-difluoropropanoate,
99953-33-0,
Propanoic acid, 3-bromo-2,2-difluoro-, methyl ester,
ZINC196363747,
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| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.983g/mol |
| Monoisotopic Mass | 201.944g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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