| CAS Number | 1094363-63-9 |
| Catalog Number | AG019L0B |
| Chemical Name | 1-butyl-3-(2-chloropropanoyl)urea |
| IUPAC Name | N-(butylcarbamoyl)-2-chloropropanamide |
| InChI | InChI=1S/C8H15ClN2O2/c1-3-4-5-10-8(13)11-7(12)6(2)9/h6H,3-5H2,1-2H3,(H2,10,11,12,13) |
| InChI Key | WIVAKQBKZYQWMW-UHFFFAOYSA-N |
| MDL Number | MFCD11185277 |
| Molecular Formula | C8H15ClN2O2 |
| Molecular Weight | 206.6699 |
| SMILES | CCCCNC(NC(C(Cl)C)=O)=O |
| Synonyms | 1-butyl-3-(2-chloropropanoyl)urea,
1094363-63-9,
AKOS009147101,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.67g/mol |
| Monoisotopic Mass | 206.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number