| CAS Number | 1140391-90-7 |
| Catalog Number | AG0096W9(AGN-PC-0WQVNC) |
| Chemical Name | 2,6H-trifluoroacetanilide |
| IUPAC Name | N-(3,4,5-trifluorophenyl)acetamide |
| InChI | InChI=1S/C8H6F3NO/c1-4(13)12-5-2-6(9)8(11)7(10)3-5/h2-3H,1H3,(H,12,13) |
| InChI Key | ITBMPUPXRCBCDI-UHFFFAOYSA-N |
| MDL Number | MFCD20365932 |
| Molecular Formula | C8H6F3NO |
| Molecular Weight | 189.1345 |
| SMILES | FC=1C=C(C=C(C1F)F)NC(C)=O |
| Synonyms | N-(3,4,5-trifluorophenyl)acetamide,
2,6H-trifluoroacetanilide,
1140391-90-7,
SCHEMBL12459282,
MFCD20365932,
ZINC81559048,
AKOS013917191,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.137g/mol |
| Monoisotopic Mass | 189.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number