| CAS Number | 116655-36-8 |
| Catalog Number | AG00HDQR(AGN-PC-0NZ2DC) |
| Chemical Name | 1,1,1-Trifluoro-3-(pyrazin-2-yl)propan-2-one |
| IUPAC Name | 1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-one |
| InChI | InChI=1S/C7H5F3N2O/c8-7(9,10)6(13)3-5-4-11-1-2-12-5/h1-2,4H,3H2 |
| InChI Key | NSMPTFGSBMYHKW-UHFFFAOYSA-N |
| MDL Number | MFCD28369603 |
| Molecular Formula | C7H5F3N2O |
| Molecular Weight | 190.1226 |
| SMILES | FC(C(CC1=NC=CN=C1)=O)(F)F |
| Synonyms | 116655-36-8,
1,1,1-trifluoro-3-(pyrazin-2-yl)propan-2-one,
trifluoroacetonylpyrazine,
ZINC196341373,
2-Propanone, 1,1,1-trifluoro-3-pyrazinyl-,
2-Propanone, 1,1,1-trifluoro-3-(2-pyrazinyl)-,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.125g/mol |
| Monoisotopic Mass | 190.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number