| CAS Number | 67680-78-8 |
| Catalog Number | AG005QWC(AGN-PC-01CGEC) |
| Chemical Name | N-(3-chloropropyl)-2,2,2-trifluoroacetamide |
| IUPAC Name | N-(3-chloropropyl)-2,2,2-trifluoroacetamide |
| InChI | InChI=1S/C5H7ClF3NO/c6-2-1-3-10-4(11)5(7,8)9/h1-3H2,(H,10,11) |
| InChI Key | PRABUCUNDPBFOB-UHFFFAOYSA-N |
| MDL Number | MFCD08714917 |
| Molecular Formula | C5H7ClF3NO |
| Molecular Weight | 189.5634 |
| SMILES | FC(C(NCCCCl)=O)(F)F |
| Synonyms | N-(3-chloropropyl)-2,2,2-trifluoroacetamide,
67680-78-8,
NE39174,
Acetamide, N-(3-chloropropyl)-2,2,2-trifluoro-,
N-(3-chloropropyl)-trifluoroacetamide,
SCHEMBL2431800,
CTK1H6932,
DTXSID40589344,
PRABUCUNDPBFOB-UHFFFAOYSA-N,
ZINC20495854,
AKOS017532205,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.562g/mol |
| Monoisotopic Mass | 189.017g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number