| CAS Number | 71026-98-7 |
| Catalog Number | AG00IC4J(AGN-PC-0WRADE) |
| Chemical Name | 2-Bromo-3,3,3-trifluoropropionic acid |
| IUPAC Name | 2-bromo-3,3,3-trifluoropropanoic acid |
| InChI | InChI=1S/C3H2BrF3O2/c4-1(2(8)9)3(5,6)7/h1H,(H,8,9) |
| InChI Key | GIGHXKRXTYSIQA-UHFFFAOYSA-N |
| MDL Number | MFCD21602082 |
| Molecular Formula | C3H2BrF3O2 |
| Molecular Weight | 206.9460 |
| SMILES | BrC(C(=O)O)C(F)(F)F |
| Synonyms | 2-Bromo-3,3,3-trifluoropropanoic acid,
71026-98-7,
2-Bromo-3,3,3-trifluoropropionic acid,
SCHEMBL1993700,
DTXSID10546565,
GIGHXKRXTYSIQA-UHFFFAOYSA-N,
FCH1613726,
PC49641,
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| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.946g/mol |
| Monoisotopic Mass | 205.919g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number