| CAS Number | 391225-63-1 |
| Catalog Number | AG00JBYX(AGN-PC-0WBYH6) |
| Chemical Name | N-(4-acetylphenyl)-5-chlorothiophene-2-carboxamide |
| IUPAC Name | N-(4-acetylphenyl)-5-chlorothiophene-2-carboxamide |
| InChI | InChI=1S/C13H10ClNO2S/c1-8(16)9-2-4-10(5-3-9)15-13(17)11-6-7-12(14)18-11/h2-7H,1H3,(H,15,17) |
| InChI Key | MMNSJDMGWGWXNG-UHFFFAOYSA-N |
| MDL Number | MFCD04406399 |
| Molecular Formula | C13H10ClNO2S |
| Molecular Weight | 279.7420 |
| SMILES | CC(=O)C1=CC=C(NC(=O)C2=CC=C(Cl)S2)C=C1 |
| Synonyms | N-(4-acetylphenyl)-5-chlorothiophene-2-carboxamide,
391225-63-1,
AC1LIOPK,
CTK7F7405,
ZINC567918,
ALBB-002926,
BBL037637,
MFCD04406399,
STK502528,
AKOS001311780,
MCULE-1633712469,
UPCMLD0ENAT5707891:001,
TR-052964,
Y-9243,
SR-01000005045,
SR-01000005045-1,
Z27699448,
F0174-0351,
CID959124,
ZINC00567918,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.738g/mol |
| Monoisotopic Mass | 279.012g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number