| CAS Number | 923162-74-7 |
| Catalog Number | AG019K5E |
| Chemical Name | 1-benzyl-3-(3-chloropropanoyl)urea |
| IUPAC Name | N-(benzylcarbamoyl)-3-chloropropanamide |
| InChI | InChI=1S/C11H13ClN2O2/c12-7-6-10(15)14-11(16)13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,13,14,15,16) |
| InChI Key | VNFXIDDBEAPIBI-UHFFFAOYSA-N |
| MDL Number | MFCD08444428 |
| Molecular Formula | C11H13ClN2O2 |
| Molecular Weight | 240.6861 |
| SMILES | ClCCC(NC(NCC1=CC=CC=C1)=O)=O |
| Synonyms | 1-benzyl-3-(3-chloropropanoyl)urea,
N-[(benzylamino)carbonyl]-3-chloropropanamide,
923162-74-7,
AC1Q3UF5,
CTK6H7276,
ZINC9738192,
AKOS001295304,
MCULE-7801425985,
NE13870,
EN300-25589,
|
| Complexity | 240 |
| 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 | 4 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number