| CAS Number | 1343107-31-2 |
| Catalog Number | AG01A3M5 |
| Chemical Name | 2,2-Difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid |
| IUPAC Name | 2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid |
| InChI | InChI=1S/C9H5F5O2/c10-8(11,7(15)16)5-3-1-2-4-6(5)9(12,13)14/h1-4H,(H,15,16) |
| InChI Key | XXGYJZCVWVRSGB-UHFFFAOYSA-N |
| MDL Number | MFCD17223370 |
| Molecular Formula | C9H5F5O2 |
| Molecular Weight | 240.1268 |
| SMILES | C1=CC=C(C(=C1)C(C(=O)O)(F)F)C(F)(F)F |
| Synonyms | 2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid,
1343107-31-2,
2,2-difluoro-2-(2-(trifluoromethyl)phenyl)acetic acid,
SCHEMBL17420697,
XXGYJZCVWVRSGB-UHFFFAOYSA-N,
ZINC55233944,
AKOS012096798,
NE50905,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.129g/mol |
| Monoisotopic Mass | 240.021g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number