| CAS Number | 554436-98-5 |
| Catalog Number | AG019IA7 |
| Chemical Name | 3-(2-Chloropropanoyl)-1-cyclohexylurea |
| IUPAC Name | 2-chloro-N-(cyclohexylcarbamoyl)propanamide |
| InChI | InChI=1S/C10H17ClN2O2/c1-7(11)9(14)13-10(15)12-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,12,13,14,15) |
| InChI Key | OQFYKJXOOAHKPK-UHFFFAOYSA-N |
| MDL Number | MFCD03987299 |
| Molecular Formula | C10H17ClN2O2 |
| Molecular Weight | 232.7072 |
| SMILES | CC(C(NC(NC1CCCCC1)=O)=O)Cl |
| Synonyms | 3-(2-chloropropanoyl)-1-cyclohexylurea,
1-(2-Chloro-propionyl)-3-cyclohexyl-urea,
554436-98-5,
AC1Q2AUC,
AC1MY72P,
MLS000517163,
CHEMBL1366822,
CTK6A3047,
AKOS000122909,
AKOS017269015,
MCULE-9120713353,
NE36103,
SMR000343323,
2-chloro-N-(cyclohexylcarbamoyl)propanamide,
EN300-06144,
SR-01000043758,
SR-01000043758-1,
ZINC03277798,
CID3827198,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.708g/mol |
| Monoisotopic Mass | 232.098g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number