| CAS Number | 90773-49-2 |
| Catalog Number | AG01A8MW |
| Chemical Name | 3-Chloropropyl N-carbamoylcarbamate |
| IUPAC Name | 3-chloropropyl N-carbamoylcarbamate |
| InChI | InChI=1S/C5H9ClN2O3/c6-2-1-3-11-5(10)8-4(7)9/h1-3H2,(H3,7,8,9,10) |
| InChI Key | HTIPYLCUZVNCML-UHFFFAOYSA-N |
| MDL Number | MFCD16040118 |
| Molecular Formula | C5H9ClN2O3 |
| Molecular Weight | 180.5896 |
| SMILES | NC(NC(OCCCCl)=O)=O |
| Synonyms | 3-chloropropyl N-carbamoylcarbamate,
90773-49-2,
AC1Q4ZU8,
ZINC47844017,
NE15910,
EN300-62046,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.588g/mol |
| Monoisotopic Mass | 180.03g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number