| CAS Number | 208259-48-7 |
| Catalog Number | AG01BTR8 |
| Chemical Name | 2-(3,5-difluorophenyl)-2,2-difluoroacetic acid |
| IUPAC Name | 2-(3,5-difluorophenyl)-2,2-difluoroacetic acid |
| InChI | InChI=1S/C8H4F4O2/c9-5-1-4(2-6(10)3-5)8(11,12)7(13)14/h1-3H,(H,13,14) |
| InChI Key | VOJLCUOUDHMLKY-UHFFFAOYSA-N |
| MDL Number | MFCD11007711 |
| Molecular Formula | C8H4F4O2 |
| Molecular Weight | 208.1098 |
| SMILES | FC=1C=C(C=C(C1)F)C(C(=O)O)(F)F |
| Synonyms | (3,5-Difluorophenyl)-difluoroacetic acid,
2-(3,5-difluorophenyl)-2,2-difluoroacetic acid,
208259-48-7,
SCHEMBL5966766,
CTK7I4108,
VOJLCUOUDHMLKY-UHFFFAOYSA-N,
MFCD11007711,
ZINC31829521,
AKOS011682474,
DB-016374,
2,2-difluoro-2-(3,5-difluorophenyl)acetic acid,
3,5-Difluorophenyl-alpha,alpha-difluoroacetic Acid,
Z2756841912,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.112g/mol |
| Monoisotopic Mass | 208.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number