| CAS Number | 625128-23-6 |
| Catalog Number | AG00EL72(AGN-PC-08YYDJ) |
| Chemical Name | N-[2-[4-(trifluoromethyl)phenylethyl]-acetamide |
| IUPAC Name | N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide |
| InChI | InChI=1S/C11H12F3NO/c1-8(16)15-7-6-9-2-4-10(5-3-9)11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16) |
| InChI Key | TYJGVPBXNRCDBD-UHFFFAOYSA-N |
| MDL Number | MFCD30828939 |
| Molecular Formula | C11H12F3NO |
| Molecular Weight | 231.2143 |
| SMILES | CC(=O)NCCc1ccc(cc1)C(F)(F)F |
| Synonyms | N-(4-(trifluoromethyl)phenethyl)acetamide,
625128-23-6,
SCHEMBL1008256,
TYJGVPBXNRCDBD-UHFFFAOYSA-N,
MFCD30828939,
ZINC49930634,
AKOS033970208,
MCULE-7432563097,
CS-0059732,
N-[2-[4-(trifluoromethyl)phenylethyl]-acetamide,
N-{2-[4-(trifluoromethyl)phenyl]ethyl}acetamide,
N-[2-(4-Trifluoromethyl-phenyl)-ethyl]-acetamide,
Z26634824,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.218g/mol |
| Monoisotopic Mass | 231.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number