| CAS Number | 56286-74-9 |
| Catalog Number | AG01E72B |
| Chemical Name | 5-(Trifluoromethyl)furan-2-carboxamide |
| IUPAC Name | 5-(trifluoromethyl)furan-2-carboxamide |
| InChI | InChI=1S/C6H4F3NO2/c7-6(8,9)4-2-1-3(12-4)5(10)11/h1-2H,(H2,10,11) |
| InChI Key | JEBRGGLRJRFWDP-UHFFFAOYSA-N |
| MDL Number | MFCD00729095 |
| Molecular Formula | C6H4F3NO2 |
| Molecular Weight | 179.0967 |
| SMILES | O=C(C1=CC=C(C(F)(F)F)O1)N |
| Synonyms | 5-(trifluoromethyl)furan-2-carboxamide,
56286-74-9,
AC1MBPUJ,
Maybridge3_005430,
SCHEMBL15652003,
HMS1446G18,
5-trifluoro-methylfuran-2-carboxamide,
AKOS034121840,
IDI1_016817,
ZINC00086933,
CID2729412,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.098g/mol |
| Monoisotopic Mass | 179.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number