| CAS Number | 1153508-34-9 |
| Catalog Number | AG01A6IX |
| Chemical Name | 2-chloro-N-[4-(1H-imidazol-4-yl)phenyl]propanamide |
| IUPAC Name | 2-chloro-N-[4-(1H-imidazol-5-yl)phenyl]propanamide |
| InChI | InChI=1S/C12H12ClN3O/c1-8(13)12(17)16-10-4-2-9(3-5-10)11-6-14-7-15-11/h2-8H,1H3,(H,14,15)(H,16,17) |
| InChI Key | IXYXTMLQFKAAED-UHFFFAOYSA-N |
| MDL Number | MFCD12124379 |
| Molecular Formula | C12H12ClN3O |
| Molecular Weight | 249.6962 |
| SMILES | CC(C(NC1=CC=C(C2N=CNC=2)C=C1)=O)Cl |
| Synonyms | 2-chloro-N-[4-(1H-imidazol-4-yl)phenyl]propanamide,
1153508-34-9,
AKOS009893273,
NE46986,
Z1562120211,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.698g/mol |
| Monoisotopic Mass | 249.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number