| CAS Number | 1448858-61-4 |
| Catalog Number | AG001KAH(AGN-PC-0WR1LF) |
| Chemical Name | 1-(2-Amino-4-(trifluoromethyl)phenyl)-2,2,2-trifluoroethanone |
| IUPAC Name | 1-[2-amino-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone |
| InChI | InChI=1S/C9H5F6NO/c10-8(11,12)4-1-2-5(6(16)3-4)7(17)9(13,14)15/h1-3H,16H2 |
| InChI Key | GVXKLCBPDVZTPN-UHFFFAOYSA-N |
| MDL Number | MFCD25976379 |
| Molecular Formula | C9H5F6NO |
| Molecular Weight | 257.1325 |
| SMILES | NC1=C(C=CC(=C1)C(F)(F)F)C(C(F)(F)F)=O |
| Synonyms | 1448858-61-4,
1-(2-Amino-4-(trifluoromethyl)phenyl)-2,2,2-trifluoroethanone,
2'-Amino-2,2,2-trifluoro-4'-(trifluoromethyl)acetophenone,
ZX-AP000821,
MFCD25976379,
ZINC95829819,
AKOS027252119,
PC01674,
PS-11094,
Ethanone, 1-[2-amino-4-(trifluoromethyl)phenyl]-2,2,2-trifluoro-,
1-(2-amino-4-(trifluoromethyl)phenyl)-2,2,2-trifluoroethanone, 95% - 1G 1g,
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| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.135g/mol |
| Monoisotopic Mass | 257.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number