| CAS Number | 1418128-91-2 |
| Catalog Number | AG01DYQR |
| Chemical Name | 4-[1-(Trifluoromethyl)Cyclopropyl]Benzoic Acid |
| IUPAC Name | 4-[1-(trifluoromethyl)cyclopropyl]benzoic acid |
| InChI | InChI=1S/C11H9F3O2/c12-11(13,14)10(5-6-10)8-3-1-7(2-4-8)9(15)16/h1-4H,5-6H2,(H,15,16) |
| InChI Key | BAVKPLHRLZECNA-UHFFFAOYSA-N |
| MDL Number | MFCD28359660 |
| Molecular Formula | C11H9F3O2 |
| Molecular Weight | 230.1832 |
| SMILES | OC(C1=CC=C(C2(C(F)(F)F)CC2)C=C1)=O |
| Synonyms | 4-(1-(Trifluoromethyl)cyclopropyl)benzoic acid,
1418128-91-2,
SCHEMBL15505012,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.186g/mol |
| Monoisotopic Mass | 230.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number