| CAS Number | 109130-25-8 |
| Catalog Number | AG01C5C3(AGN-PC-00NELD) |
| Chemical Name | 1-(3-Chlorophenyl)-1H-imidazol-2(3H)-one |
| IUPAC Name | 3-(3-chlorophenyl)-1H-imidazol-2-one |
| InChI | InChI=1S/C9H7ClN2O/c10-7-2-1-3-8(6-7)12-5-4-11-9(12)13/h1-6H,(H,11,13) |
| InChI Key | JQTXWJHOZYNLQP-UHFFFAOYSA-N |
| MDL Number | MFCD12965845 |
| Molecular Formula | C9H7ClN2O |
| Molecular Weight | 194.6177 |
| SMILES | ClC1=CC(N2C(=O)NC=C2)=CC=C1 |
| Synonyms | 109130-25-8,
1-(3-Chlorophenyl)-1H-imidazol-2(3H)-one,
1-(3-chlorophenyl)-2,3-dihydro-1H-imidazol-2-one,
ZINC30952843,
AKOS017518836,
MCULE-9565733125,
1-(3-chlorophenyl)-4-imidazolin-2-one,
ST083620,
1-(3-chlorophenyl)-1,3-dihydro-2H-Imidazol-2-one,
Z2429425580,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.618g/mol |
| Monoisotopic Mass | 194.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number