| CAS Number | 586369-93-9 |
| Catalog Number | AG01A9MK |
| Chemical Name | 2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-one |
| IUPAC Name | 2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-one |
| InChI | InChI=1S/C11H11F3O/c1-7(2)10(15)8-4-3-5-9(6-8)11(12,13)14/h3-7H,1-2H3 |
| InChI Key | OSZRQYTWONOZBA-UHFFFAOYSA-N |
| MDL Number | MFCD00458543 |
| Molecular Formula | C11H11F3O |
| Molecular Weight | 216.1996 |
| SMILES | CC(C)C(C1=CC=CC(C(F)(F)F)=C1)=O |
| Synonyms | 2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-one,
586369-93-9,
2-Methyl-1-(3-(trifluoromethyl)phenyl)propan-1-one,
AC1NBR7B,
AC1Q1NWJ,
SCHEMBL10819628,
ZINC3163525,
AKOS010014970,
MCULE-9407726511,
NE25209,
AK00799126,
EN300-65541,
Z1258948209,
CID4498085,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.203g/mol |
| Monoisotopic Mass | 216.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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