| CAS Number | 445479-60-7 |
| Catalog Number | AG01B2NH |
| Chemical Name | 2-(Methylamino)-5-(trifluoromethyl)benzoic acid |
| IUPAC Name | 2-(methylamino)-5-(trifluoromethyl)benzoic acid |
| InChI | InChI=1S/C9H8F3NO2/c1-13-7-3-2-5(9(10,11)12)4-6(7)8(14)15/h2-4,13H,1H3,(H,14,15) |
| InChI Key | DHGGWLNECBYZHW-UHFFFAOYSA-N |
| MDL Number | MFCD16852541 |
| Molecular Formula | C9H8F3NO2 |
| Molecular Weight | 219.1605 |
| SMILES | CNC1=C(C(O)=O)C=C(C(F)(F)F)C=C1 |
| Synonyms | 2-(methylamino)-5-(trifluoromethyl)benzoic acid,
445479-60-7,
SCHEMBL3886144,
ZINC54527155,
AKOS012003496,
Z2492774591,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.163g/mol |
| Monoisotopic Mass | 219.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number