| CAS Number | 1710091-83-0 |
| Catalog Number | AG01DRM0 |
| Chemical Name | 3-(4-bromophenyl)-2,2-difluoropropanoic acid |
| IUPAC Name | 3-(4-bromophenyl)-2,2-difluoropropanoic acid |
| InChI | InChI=1S/C9H7BrF2O2/c10-7-3-1-6(2-4-7)5-9(11,12)8(13)14/h1-4H,5H2,(H,13,14) |
| InChI Key | LZSJMGOJFLXORI-UHFFFAOYSA-N |
| MDL Number | MFCD22199919 |
| Molecular Formula | C9H7BrF2O2 |
| Molecular Weight | 265.0515 |
| SMILES | OC(C(CC1=CC=C(Br)C=C1)(F)F)=O |
| Synonyms | 3-(4-BROMOPHENYL)-2,2-DIFLUOROPROPANOIC ACID,
1710091-83-0,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.054g/mol |
| Monoisotopic Mass | 263.96g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number