| CAS Number | 1306604-46-5 |
| Catalog Number | AG01AI8C(AGN-PC-0WO2BX) |
| Chemical Name | 4-(2-chloroacetyl)-5-methylfuran-2-carboxamide |
| IUPAC Name | 4-(2-chloroacetyl)-5-methylfuran-2-carboxamide |
| InChI | InChI=1S/C8H8ClNO3/c1-4-5(6(11)3-9)2-7(13-4)8(10)12/h2H,3H2,1H3,(H2,10,12) |
| InChI Key | HJUKWZBICSJWGK-UHFFFAOYSA-N |
| MDL Number | MFCD18838927 |
| Molecular Formula | C8H8ClNO3 |
| Molecular Weight | 201.6070 |
| SMILES | CC1=C(C(CCl)=O)C=C(C(N)=O)O1 |
| Synonyms | 4-(2-chloroacetyl)-5-methylfuran-2-carboxamide,
EN300-77004,
1306604-46-5,
ZINC68591487,
AKOS026726838,
FCH1327583,
NE57170,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.606g/mol |
| Monoisotopic Mass | 201.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number