| CAS Number | 82277-88-1 |
| Catalog Number | AG019L51(AGN-PC-0WO9IK) |
| Chemical Name | 3-(3-Chloropropanoyl)-1-methylurea |
| IUPAC Name | 3-chloro-N-(methylcarbamoyl)propanamide |
| InChI | InChI=1S/C5H9ClN2O2/c1-7-5(10)8-4(9)2-3-6/h2-3H2,1H3,(H2,7,8,9,10) |
| InChI Key | UEIJFSINQCGYHS-UHFFFAOYSA-N |
| MDL Number | MFCD09863313 |
| Molecular Formula | C5H9ClN2O2 |
| Molecular Weight | 164.5902 |
| SMILES | CNC(NC(CCCl)=O)=O |
| Synonyms | 3-(3-chloropropanoyl)-1-methylurea,
3-chloro-N-[(methylamino)carbonyl]propanamide,
82277-88-1,
AC1Q40OD,
SCHEMBL11286301,
CTK6I4404,
ZINC12778450,
AKOS009035688,
MCULE-3194430904,
NE14546,
EN300-29872,
|
| 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 | 2 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number