| CAS Number | 1310326-12-5 |
| Catalog Number | AG01B7SB |
| Chemical Name | 3-(4-(Trifluoromethyl)phenyl)cyclopentanone |
| IUPAC Name | 3-[4-(trifluoromethyl)phenyl]cyclopentan-1-one |
| InChI | InChI=1S/C12H11F3O/c13-12(14,15)10-4-1-8(2-5-10)9-3-6-11(16)7-9/h1-2,4-5,9H,3,6-7H2 |
| InChI Key | NJUIFPDSJBQMLN-UHFFFAOYSA-N |
| MDL Number | MFCD16659558 |
| Molecular Formula | C12H11F3O |
| Molecular Weight | 228.2103 |
| SMILES | FC(C1=CC=C(C2CC(=O)CC2)C=C1)(F)F |
| Synonyms | 3-(4-(Trifluoromethyl)phenyl)cyclopentanone,
1310326-12-5,
3-[4-(trifluoromethyl)phenyl]cyclopentan-1-one,
3-[4-(Trifluoromethyl)phenyl]cyclopentanone,
MFCD16659558,
AKOS013845765,
AS-36322,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.214g/mol |
| Monoisotopic Mass | 228.076g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number