| CAS Number | 1042815-75-7 |
| Catalog Number | AG01AJTP |
| Chemical Name | 3-(2-(Trifluoromethyl)phenyl)butanoic acid |
| IUPAC Name | 3-[2-(trifluoromethyl)phenyl]butanoic acid |
| InChI | InChI=1S/C11H11F3O2/c1-7(6-10(15)16)8-4-2-3-5-9(8)11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16) |
| InChI Key | DNTYTMBASWRZAO-UHFFFAOYSA-N |
| MDL Number | MFCD11172900 |
| Molecular Formula | C11H11F3O2 |
| Molecular Weight | 232.1990 |
| SMILES | CC(C1=C(C(F)(F)F)C=CC=C1)CC(O)=O |
| Synonyms | 1042815-75-7,
3-(2-(Trifluoromethyl)phenyl)butanoic acid,
3-[2-(trifluoromethyl)phenyl]butanoic acid,
SCHEMBL17189664,
MFCD11172900,
AKOS008113670,
MCULE-1407304388,
NE28321,
EN300-81899,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.202g/mol |
| Monoisotopic Mass | 232.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number