| CAS Number | 949444-74-0 |
| Catalog Number | AG00JDZ0(AGN-PC-0WC9BG) |
| Chemical Name | 2-chloro-N-[2-(trifluoromethyl)phenyl]propanamide |
| IUPAC Name | 2-chloro-N-[2-(trifluoromethyl)phenyl]propanamide |
| InChI | InChI=1S/C10H9ClF3NO/c1-6(11)9(16)15-8-5-3-2-4-7(8)10(12,13)14/h2-6H,1H3,(H,15,16) |
| InChI Key | LPZWGHVAKVEFNN-UHFFFAOYSA-N |
| MDL Number | MFCD09802007 |
| Molecular Formula | C10H9ClF3NO |
| Molecular Weight | 251.6328 |
| SMILES | CC(C(NC1=C(C(F)(F)F)C=CC=C1)=O)Cl |
| Synonyms | 2-chloro-N-[2-(trifluoromethyl)phenyl]propanamide,
949444-74-0,
AC1Q2AVB,
SCHEMBL10947190,
CTK7F4346,
ALBB-018823,
MFCD09802007,
AKOS000199303,
AKOS017258652,
MCULE-5928781564,
NE14436,
EN300-23327,
propanamide, 2-chloro-N-[2-(trifluoromethyl)phenyl]-,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.633g/mol |
| Monoisotopic Mass | 251.032g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number