| CAS Number | 1203954-88-4 |
| Catalog Number | AG01F86L(AGN-PC-3H4995) |
| Chemical Name | 2-Chloro-N-methyl-5-(trifluoromethyl)-benzamide |
| IUPAC Name | 2-chloro-N-methyl-5-(trifluoromethyl)benzamide |
| InChI | InChI=1S/C9H7ClF3NO/c1-14-8(15)6-4-5(9(11,12)13)2-3-7(6)10/h2-4H,1H3,(H,14,15) |
| InChI Key | RKSYPEMZHODSKC-UHFFFAOYSA-N |
| MDL Number | MFCD31718286 |
| Molecular Formula | C9H7ClF3NO |
| Molecular Weight | 237.6062 |
| SMILES | CNC(=O)c1cc(ccc1Cl)C(F)(F)F |
| Synonyms | 1203954-88-4,
SCHEMBL7983769,
2-Chloro-N-methyl-5-(trifluoromethyl)-benzamide,
2-?Chloro-?N-?methyl-?5-?(trifluoromethyl)?-benzamide,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.606g/mol |
| Monoisotopic Mass | 237.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number