| CAS Number | 560995-27-9 |
| Catalog Number | AG00IA0F |
| Chemical Name | 3-(2-Chloroacetyl)-1-(2-methylpropyl)urea |
| IUPAC Name | 2-chloro-N-(2-methylpropylcarbamoyl)acetamide |
| InChI | InChI=1S/C7H13ClN2O2/c1-5(2)4-9-7(12)10-6(11)3-8/h5H,3-4H2,1-2H3,(H2,9,10,11,12) |
| InChI Key | ZJMOFVMEIKWYJH-UHFFFAOYSA-N |
| MDL Number | MFCD04606929 |
| Molecular Formula | C7H13ClN2O2 |
| Molecular Weight | 192.6433 |
| SMILES | CC(CNC(NC(CCl)=O)=O)C |
| Synonyms | 3-(2-chloroacetyl)-1-(2-methylpropyl)urea,
1-(2-Chloro-acetyl)-3-isobutyl-urea,
560995-27-9,
AC1M7HPR,
AC1Q1POL,
CTK6H5208,
ZINC3326558,
MFCD04606929,
AKOS008966915,
MCULE-9674063207,
NE43679,
2-chloro-N-(2-methylpropylcarbamoyl)acetamide,
EN300-06348,
ZINC03326558,
CID2442211,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.643g/mol |
| Monoisotopic Mass | 192.067g/mol |
| Rotatable Bond Count | 3 |
| 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