| CAS Number | 157383-41-0 |
| Catalog Number | AG01B538 |
| Chemical Name | 3-(Dimethylamino)-5-(trifluoromethyl)benzoic acid |
| IUPAC Name | 3-(dimethylamino)-5-(trifluoromethyl)benzoic acid |
| InChI | InChI=1S/C10H10F3NO2/c1-14(2)8-4-6(9(15)16)3-7(5-8)10(11,12)13/h3-5H,1-2H3,(H,15,16) |
| InChI Key | QAUQTALSQIJXNX-UHFFFAOYSA-N |
| MDL Number | MFCD23747419 |
| Molecular Formula | C10H10F3NO2 |
| Molecular Weight | 233.1871 |
| SMILES | CN(C1=CC(C(F)(F)F)=CC(C(O)=O)=C1)C |
| Synonyms | 3-(dimethylamino)-5-(trifluoromethyl)benzoic acid,
157383-41-0,
SCHEMBL8955553,
QAUQTALSQIJXNX-UHFFFAOYSA-N,
ZINC86684299,
AKOS018252982,
3-Dimethylamino-5-trifluoromethyl-benzoic acid,
Z2513333356,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.19g/mol |
| Monoisotopic Mass | 233.066g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number