| CAS Number | 1016495-32-1 |
| Catalog Number | AG019X0D(AGN-PC-0WOAEF) |
| Chemical Name | 1-chloro-3-(2,2,2-trifluoroethoxy)propane |
| IUPAC Name | 1-chloro-3-(2,2,2-trifluoroethoxy)propane |
| InChI | InChI=1S/C5H8ClF3O/c6-2-1-3-10-4-5(7,8)9/h1-4H2 |
| InChI Key | USXNIUALXMBUCV-UHFFFAOYSA-N |
| MDL Number | MFCD09809857 |
| Molecular Formula | C5H8ClF3O |
| Molecular Weight | 176.5646 |
| SMILES | FC(COCCCCl)(F)F |
| Synonyms | 1-chloro-3-(2,2,2-trifluoroethoxy)propane,
1016495-32-1,
AC1Q4KCQ,
CTK6H8063,
ZINC19421768,
AKOS000169075,
MCULE-2580705321,
NE14492,
EN300-53689,
|
| Complexity | 83.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.563g/mol |
| Monoisotopic Mass | 176.022g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number