| CAS Number | 741290-20-0 |
| Catalog Number | AG019YU6(AGN-PC-03Y03C) |
| Chemical Name | 5-(trifluoromethyl)-1-benzofuran |
| IUPAC Name | 5-(trifluoromethyl)-1-benzofuran |
| InChI | InChI=1S/C9H5F3O/c10-9(11,12)7-1-2-8-6(5-7)3-4-13-8/h1-5H |
| InChI Key | PZCIAKIDGUSIMF-UHFFFAOYSA-N |
| MDL Number | MFCD18413278 |
| Molecular Formula | C9H5F3O |
| Molecular Weight | 186.1306 |
| SMILES | FC(C=1C=CC2=C(C=CO2)C1)(F)F |
| Synonyms | 5-(Trifluoromethyl)benzofuran,
5-(trifluoromethyl)-1-benzofuran,
741290-20-0,
SCHEMBL827855,
5-(Trifluoromethyl)benzo[b]furan,
DTXSID90630118,
Benzofuran, 5-(trifluoromethyl)-,
PZCIAKIDGUSIMF-UHFFFAOYSA-N,
MFCD18413278,
ZINC72265792,
AKOS023414221,
MCULE-1943680667,
NE52779,
Z1365534280,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.133g/mol |
| Monoisotopic Mass | 186.029g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 13.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number