| CAS Number | 1094363-52-6 |
| Catalog Number | AG019P7R(AGN-PC-0WOBX1) |
| Chemical Name | 3-(2-chloroacetyl)-1-(1-methoxypropan-2-yl)urea |
| IUPAC Name | 2-chloro-N-(1-methoxypropan-2-ylcarbamoyl)acetamide |
| InChI | InChI=1S/C7H13ClN2O3/c1-5(4-13-2)9-7(12)10-6(11)3-8/h5H,3-4H2,1-2H3,(H2,9,10,11,12) |
| InChI Key | XXZWMRISCOUUMK-UHFFFAOYSA-N |
| MDL Number | MFCD11185242 |
| Molecular Formula | C7H13ClN2O3 |
| Molecular Weight | 208.6427 |
| SMILES | COCC(NC(NC(CCl)=O)=O)C |
| Synonyms | 3-(2-chloroacetyl)-1-(1-methoxypropan-2-yl)urea,
1094363-52-6,
AKOS009075882,
NE24448,
1-(2-chloroacetyl)-3-(1-methoxypropan-2-yl)urea,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.642g/mol |
| Monoisotopic Mass | 208.061g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number