| CAS Number | 1535310-94-1 |
| Catalog Number | AG01C5C2 |
| Chemical Name | 1-(3-chloro-4-methylphenyl)-2,3-dihydro-1H-imidazol-2-one |
| IUPAC Name | 3-(3-chloro-4-methylphenyl)-1H-imidazol-2-one |
| InChI | InChI=1S/C10H9ClN2O/c1-7-2-3-8(6-9(7)11)13-5-4-12-10(13)14/h2-6H,1H3,(H,12,14) |
| InChI Key | NCYKFGJZPZSKSQ-UHFFFAOYSA-N |
| MDL Number | MFCD23697189 |
| Molecular Formula | C10H9ClN2O |
| Molecular Weight | 208.6443 |
| SMILES | CC1=C(Cl)C=C(N2C(=O)NC=C2)C=C1 |
| Synonyms | 1-(3-chloro-4-methylphenyl)-2,3-dihydro-1H-imidazol-2-one,
1535310-94-1,
ZINC87665572,
AKOS019146340,
Z2429425514,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.645g/mol |
| Monoisotopic Mass | 208.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number