| CAS Number | 339-93-5 |
| Catalog Number | AG00CZ6W(AGN-PC-0R9GBU) |
| Chemical Name | 2-Hydroxy-2-(2-(trifluoromethyl)phenyl)acetic acid |
| EC Number | 206-428-6 |
| IUPAC Name | 2-hydroxy-2-[2-(trifluoromethyl)phenyl]acetic acid |
| InChI | InChI=1S/C9H7F3O3/c10-9(11,12)6-4-2-1-3-5(6)7(13)8(14)15/h1-4,7,13H,(H,14,15) |
| InChI Key | QNVLFHMMPUBIIN-UHFFFAOYSA-N |
| MDL Number | MFCD00439109 |
| Molecular Formula | C9H7F3O3 |
| Molecular Weight | 220.1453 |
| SMILES | OC(C1=C(C(F)(F)F)C=CC=C1)C(O)=O |
| Synonyms | 339-93-5,
(2-(Trifluoromethyl)phenyl)glycolic acid,
SCHEMBL736845,
2-(Trifluoromethyl)mandelic acid,
QNVLFHMMPUBIIN-UHFFFAOYSA-N,
AKOS005265722,
Z2787258647,
[2- phenyl]glycolicacid,
C9H7F3O3,
C9-H7-F3-O3,
AR-1J2152,
CID101657,
[2-(Trifluoromethyl)phenyl]glycolic acid,
35183-53-0,
2-trifluoromethylmandelic acid,
2-Hydroxy-2-(2-(trifluoromethyl)phenyl)acetic acid,
2-hydroxy-2-[2-(trifluoromethyl)phenyl]acetic acid,
EINECS 206-428-6,
AC1Q4JUS,
hydroxy[2-(trifluoromethyl)phenyl]acetic acid,
AC1L2R9Z,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.147g/mol |
| Monoisotopic Mass | 220.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number