| CAS Number | 1208680-83-4 |
| Catalog Number | AG019XPX(AGN-PC-0WO4A7) |
| Chemical Name | (4-chlorobutanoyl)urea |
| IUPAC Name | N-carbamoyl-4-chlorobutanamide |
| InChI | InChI=1S/C5H9ClN2O2/c6-3-1-2-4(9)8-5(7)10/h1-3H2,(H3,7,8,9,10) |
| InChI Key | DVTZZCQFICRLAO-UHFFFAOYSA-N |
| MDL Number | MFCD13196268 |
| Molecular Formula | C5H9ClN2O2 |
| Molecular Weight | 164.5902 |
| SMILES | NC(NC(CCCCl)=O)=O |
| Synonyms | (4-chlorobutanoyl)urea,
1208680-83-4,
AC1Q4ZTY,
CTK7D3469,
ZINC38342458,
AKOS026727486,
NE15742,
EN300-55741,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.589g/mol |
| Monoisotopic Mass | 164.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number