| CAS Number | 1196155-24-4 |
| Catalog Number | AG008VX7(AGN-PC-0WNNH7) |
| Chemical Name | 5-Ethynyl-2-(trifluoromethyl)pyridine |
| IUPAC Name | 5-ethynyl-2-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C8H4F3N/c1-2-6-3-4-7(12-5-6)8(9,10)11/h1,3-5H |
| InChI Key | JNCVSVJEAZBSAC-UHFFFAOYSA-N |
| MDL Number | MFCD13189725 |
| Molecular Formula | C8H4F3N |
| Molecular Weight | 171.1193 |
| SMILES | C#Cc1ccc(nc1)C(F)(F)F |
| Synonyms | 5-ethynyl-2-(trifluoromethyl)pyridine,
1196155-24-4,
KS-00003QUK,
DTXSID60726198,
MFCD13189725,
ZINC72265844,
AKOS026675553,
AB68994,
PS-6660,
SC-51437,
Pyridine, 5-ethynyl-2-(trifluoromethyl)-,
[6-(Trifluoromethyl)pyridin-3-yl]acetylene,
F-5249,
5-Ethynyl-alpha,alpha,alpha-trifluoro-2-picoline,
5-ethynyl-2-(trifluoromethyl)pyridine, 95% - 1G 1g,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.122g/mol |
| Monoisotopic Mass | 171.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number