| CAS Number | 375369-29-2 |
| Catalog Number | AG00C7Z2(AGN-PC-0RE5CP) |
| Chemical Name | 2,4,5-Trifluoromandelic acid |
| IUPAC Name | 2-hydroxy-2-(2,4,5-trifluorophenyl)acetic acid |
| InChI | InChI=1S/C8H5F3O3/c9-4-2-6(11)5(10)1-3(4)7(12)8(13)14/h1-2,7,12H,(H,13,14) |
| InChI Key | KGSNZRPLTBOIQG-UHFFFAOYSA-N |
| MDL Number | MFCD03095041 |
| Molecular Formula | C8H5F3O3 |
| Molecular Weight | 206.1187 |
| SMILES | O=C(C(C1=CC(F)=C(C=C1F)F)O)O |
| Synonyms | 2,4,5-Trifluoromandelic acid,
375369-29-2,
2,4,5-TRIFLUOROMANDELICACID,
SCHEMBL5085545,
AKOS034181914,
FCH1334756,
ACM375369292,
BBV-40210863,
N585,
alpha-Hydroxy-2,4,5-trifluorobenzeneacetic acid,
C8H5F3O3,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.12g/mol |
| Monoisotopic Mass | 206.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number