| CAS Number | 944939-06-4 |
| Catalog Number | AG01ELV1 |
| Chemical Name | 3-(2-chloroacetyl)-1-(2,5-dimethylphenyl)urea |
| IUPAC Name | 2-chloro-N-[(2,5-dimethylphenyl)carbamoyl]acetamide |
| InChI | InChI=1S/C11H13ClN2O2/c1-7-3-4-8(2)9(5-7)13-11(16)14-10(15)6-12/h3-5H,6H2,1-2H3,(H2,13,14,15,16) |
| InChI Key | ZTGVDLYTWFHHHL-UHFFFAOYSA-N |
| MDL Number | MFCD11103877 |
| Molecular Formula | C11H13ClN2O2 |
| Molecular Weight | 240.6861 |
| SMILES | CC1=CC(NC(NC(CCl)=O)=O)=C(C)C=C1 |
| Synonyms | CHEMBL227734,
AKOS009321916,
3-(2-CHLOROACETYL)-1-(2,5-DIMETHYLPHENYL)UREA,
944939-06-4,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.687g/mol |
| Monoisotopic Mass | 240.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number