| CAS Number | 34310-27-5 |
| Catalog Number | AG01BEO4(AGN-PC-06JF9Y) |
| Chemical Name | 1,1,1-trifluoro-N-propylmethanesulfonamide |
| IUPAC Name | 1,1,1-trifluoro-N-propylmethanesulfonamide |
| InChI | InChI=1S/C4H8F3NO2S/c1-2-3-8-11(9,10)4(5,6)7/h8H,2-3H2,1H3 |
| InChI Key | HVAHEUCZAOEMDI-UHFFFAOYSA-N |
| MDL Number | MFCD11621651 |
| Molecular Formula | C4H8F3NO2S |
| Molecular Weight | 191.1720 |
| SMILES | CCCNS(C(F)(F)F)(=O)=O |
| Synonyms | 1,1,1-trifluoro-N-propylmethanesulfonamide,
34310-27-5,
N-propyltriflamide,
SCHEMBL7023194,
CTK1B1254,
DTXSID20655793,
N-Propyltrifluoromethanesulfonamide,
ZINC37064513,
NE25827,
Methanesulfonamide, 1,1,1-trifluoro-N-propyl-,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.168g/mol |
| Monoisotopic Mass | 191.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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