| CAS Number | 1080023-02-4 |
| Catalog Number | AG019PQY |
| Chemical Name | 2-[2-(Trifluoromethyl)phenyl]propanoic acid |
| IUPAC Name | 2-[2-(trifluoromethyl)phenyl]propanoic acid |
| InChI | InChI=1S/C10H9F3O2/c1-6(9(14)15)7-4-2-3-5-8(7)10(11,12)13/h2-6H,1H3,(H,14,15) |
| InChI Key | JPPNPOBHKNSXQZ-UHFFFAOYSA-N |
| MDL Number | MFCD07787628 |
| Molecular Formula | C10H9F3O2 |
| Molecular Weight | 218.1725 |
| SMILES | CC(C1=CC=CC=C1C(F)(F)F)C(O)=O |
| Synonyms | 2-[2-(trifluoromethyl)phenyl]propanoic acid,
1080023-02-4,
2-(2-(Trifluoromethyl)phenyl)propanoic acid,
SCHEMBL194437,
AKOS010488647,
MCULE-9227559338,
EN300-86033,
A844790,
Z1262398499,
94022-99-8,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.175g/mol |
| Monoisotopic Mass | 218.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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