| CAS Number | 1042815-82-6 |
| Catalog Number | AG019XDW |
| Chemical Name | 3-[4-(Trifluoromethyl)Phenyl]Butanoic Acid |
| IUPAC Name | 3-[4-(trifluoromethyl)phenyl]butanoic acid |
| InChI | InChI=1S/C11H11F3O2/c1-7(6-10(15)16)8-2-4-9(5-3-8)11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16) |
| InChI Key | DSJWDXJWTSIGMD-UHFFFAOYSA-N |
| MDL Number | MFCD11172905 |
| Molecular Formula | C11H11F3O2 |
| Molecular Weight | 232.1990 |
| SMILES | FC(C1=CC=C(C=C1)C(CC(=O)O)C)(F)F |
| Synonyms | 3-[4-(trifluoromethyl)phenyl]butanoic acid,
1042815-82-6,
AC1Q1QXU,
CTK6A4914,
AKOS009218796,
MCULE-4940662078,
NE36914,
NCGC00336793-01,
EN300-54755,
AB01330726-02,
A1-08297,
Z823287474,
|
| Complexity | 242 |
| 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 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number