| CAS Number | 1017778-70-9 |
| Catalog Number | AG0099WI(AGN-PC-0WAOKF) |
| Chemical Name | 2-Methoxy-3-(trifluoromethyl)benzamide |
| IUPAC Name | 2-methoxy-3-(trifluoromethyl)benzamide |
| InChI | InChI=1S/C9H8F3NO2/c1-15-7-5(8(13)14)3-2-4-6(7)9(10,11)12/h2-4H,1H3,(H2,13,14) |
| InChI Key | SOKMVNICRNURQE-UHFFFAOYSA-N |
| MDL Number | MFCD09832313 |
| Molecular Formula | C9H8F3NO2 |
| Molecular Weight | 219.1605 |
| SMILES | C1(C=CC=C(C(N)=O)C=1OC)C(F)(F)F |
| Synonyms | 2-METHOXY-3-(TRIFLUOROMETHYL)BENZAMIDE,
1017778-70-9,
SCHEMBL4195950,
CTK6J4145,
MFCD09832313,
SBB095723,
ZINC38529841,
AKOS015956972,
JS-4664,
PC302924,
2-Methoxy-3-(trifluoromethyl)benzamide, JRD,
|
| 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 | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.163g/mol |
| Monoisotopic Mass | 219.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number