| CAS Number | 851262-60-7 |
| Catalog Number | AG008GEF(AGN-PC-0BV0KR) |
| Chemical Name | 1-(3-METHYL-4-(TRIFLUOROMETHYL)PHENYL)ETHANONE |
| IUPAC Name | 1-[3-methyl-4-(trifluoromethyl)phenyl]ethanone |
| InChI | InChI=1S/C10H9F3O/c1-6-5-8(7(2)14)3-4-9(6)10(11,12)13/h3-5H,1-2H3 |
| InChI Key | NXVDWPWCTYVPQD-UHFFFAOYSA-N |
| MDL Number | MFCD20484782 |
| Molecular Formula | C10H9F3O |
| Molecular Weight | 202.1731 |
| SMILES | CC(=O)c1ccc(c(c1)C)C(F)(F)F |
| Synonyms | 851262-60-7,
1-(3-methyl-4-(trifluoromethyl)phenyl)ethanone,
1-(3-METHYL-4-(TRIFLUOROMETHYL)PHENYL)ETHAN-1-ONE,
1-(3-Methyl-4-trifluoromethyl-phenyl)-ethanone,
1-[3-Methyl-4-(trifluoromethyl)phenyl]ethan-1-one,
SCHEMBL312657,
CTK3C9262,
DTXSID50726748,
NXVDWPWCTYVPQD-UHFFFAOYSA-N,
MFCD20484782,
ZINC90756350,
AKOS030597855,
Ethanone, 1-[3-methyl-4-(trifluoromethyl)phenyl]-,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.176g/mol |
| Monoisotopic Mass | 202.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number