| CAS Number | 2095408-95-8 |
| Catalog Number | AG01E7MN |
| Chemical Name | N-(3-chloropropyl)-N-methylcarbamoyl chloride |
| IUPAC Name | N-(3-chloropropyl)-N-methylcarbamoyl chloride |
| InChI | InChI=1S/C5H9Cl2NO/c1-8(5(7)9)4-2-3-6/h2-4H2,1H3 |
| InChI Key | TYPAIQDKUHWCMH-UHFFFAOYSA-N |
| MDL Number | MFCD30730440 |
| Molecular Formula | C5H9Cl2NO |
| Molecular Weight | 170.0371 |
| SMILES | CN(C(Cl)=O)CCCCl |
| Synonyms | N-(3-Chloropropyl)-N-methylcarbamoyl chloride,
2095408-95-8,
|
| Complexity | 97 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.033g/mol |
| Monoisotopic Mass | 169.006g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number