| CAS Number | 1016727-29-9 |
| Catalog Number | AG019KQG |
| Chemical Name | 2-chloro-N-(prop-2-yn-1-yl)propanamide |
| IUPAC Name | 2-chloro-N-prop-2-ynylpropanamide |
| InChI | InChI=1S/C6H8ClNO/c1-3-4-8-6(9)5(2)7/h1,5H,4H2,2H3,(H,8,9) |
| InChI Key | HNYDVIIXHFSUMG-UHFFFAOYSA-N |
| MDL Number | MFCD09932762 |
| Molecular Formula | C6H8ClNO |
| Molecular Weight | 145.5868 |
| SMILES | CC(Cl)C(NCC#C)=O |
| Synonyms | 2-chloro-N-(prop-2-yn-1-yl)propanamide,
1016727-29-9,
AC1Q2AYD,
N-Propargyl-2-chloropropionamide,
CTK6A3251,
AKOS000173983,
NE32847,
EN300-28020,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.586g/mol |
| Monoisotopic Mass | 145.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number