| CAS Number | 1057246-44-2 |
| Catalog Number | AG00HAP3(AGN-PC-0WQWTF) |
| Chemical Name | N-[2-(2-bromophenyl)ethyl]-2,2,2-trifluoroacetamide |
| IUPAC Name | N-[2-(2-bromophenyl)ethyl]-2,2,2-trifluoroacetamide |
| InChI | InChI=1S/C10H9BrF3NO/c11-8-4-2-1-3-7(8)5-6-15-9(16)10(12,13)14/h1-4H,5-6H2,(H,15,16) |
| InChI Key | QSRMSKQYDZYJCN-UHFFFAOYSA-N |
| MDL Number | MFCD28096633 |
| Molecular Formula | C10H9BrF3NO |
| Molecular Weight | 296.0838 |
| SMILES | O=C(C(F)(F)F)NCCc1ccccc1Br |
| Synonyms | N-[2-(2-bromophenyl)ethyl]-2,2,2-trifluoroacetamide,
1057246-44-2,
SCHEMBL3533334,
QSRMSKQYDZYJCN-UHFFFAOYSA-N,
ZINC140380401,
N-(2-bromophenethyl)-2,2,2-trifluoroacetamide,
N-(2-Bromophenethyl)-alpha,alpha,alpha-trifluoroacetamide,
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| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.087g/mol |
| Monoisotopic Mass | 294.982g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number