| CAS Number | 4791-23-5 |
| Catalog Number | AG00E02P(AGN-PC-0NDT9T) |
| Chemical Name | 3-(2-Chloroacetyl)-1-phenylurea |
| IUPAC Name | 2-chloro-N-(phenylcarbamoyl)acetamide |
| InChI | InChI=1S/C9H9ClN2O2/c10-6-8(13)12-9(14)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12,13,14) |
| InChI Key | WYESSOGZWOBKGU-UHFFFAOYSA-N |
| MDL Number | MFCD00485528 |
| Molecular Formula | C9H9ClN2O2 |
| Molecular Weight | 212.6330 |
| SMILES | ClCC(NC(NC1=CC=CC=C1)=O)=O |
| Synonyms | N-(anilinocarbonyl)-2-chloroacetamide,
4791-23-5,
3-(2-chloroacetyl)-1-phenylurea,
AC1Q3TGX,
N-chloroacetyl-N'-phenylurea,
CHEMBL466947,
SCHEMBL11541521,
DTXSID50450470,
WYESSOGZWOBKGU-UHFFFAOYSA-N,
ZINC6550859,
AKOS009020748,
MCULE-1818792341,
NE24719,
EN300-14380,
N- -2-CHLOROACETAMIDE,
2-chloro-N-(phenylcarbamoyl)acetamide,
CID10976790,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.633g/mol |
| Monoisotopic Mass | 212.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number