| CAS Number | 1094433-77-8 |
| Catalog Number | AG019L0A |
| Chemical Name | 3-(2-chloropropanoyl)-1-(4-methylphenyl)urea |
| IUPAC Name | 2-chloro-N-[(4-methylphenyl)carbamoyl]propanamide |
| InChI | InChI=1S/C11H13ClN2O2/c1-7-3-5-9(6-4-7)13-11(16)14-10(15)8(2)12/h3-6,8H,1-2H3,(H2,13,14,15,16) |
| InChI Key | ZELGUTOPLDGYAE-UHFFFAOYSA-N |
| MDL Number | MFCD11185276 |
| Molecular Formula | C11H13ClN2O2 |
| Molecular Weight | 240.6861 |
| SMILES | CC(C(NC(NC1=CC=C(C)C=C1)=O)=O)Cl |
| Synonyms | 3-(2-chloropropanoyl)-1-(4-methylphenyl)urea,
1094433-77-8,
AKOS009147072,
|
| Complexity | 263 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number