| CAS Number | 20857-44-7 |
| Catalog Number | AG002JRS(AGN-PC-000FL4) |
| Chemical Name | 2,5-Bis(trifluoromethyl)pyridine |
| IUPAC Name | 2,5-bis(trifluoromethyl)pyridine |
| InChI | InChI=1S/C7H3F6N/c8-6(9,10)4-1-2-5(14-3-4)7(11,12)13/h1-3H |
| InChI Key | TWVOBLWLJDHPLH-UHFFFAOYSA-N |
| MDL Number | MFCD00128906 |
| Molecular Formula | C7H3F6N |
| Molecular Weight | 215.0958 |
| SMILES | C1=C(C(F)(F)F)C=CC(=N1)C(F)(F)F |
| Synonyms | 2,5-Bis(trifluoromethyl)pyridine,
20857-44-7,
Pyridine, 2,5-bis(trifluoromethyl)-,
2,5-bistrifluoromethylpyridine,
SCHEMBL4149032,
CTK7B6723,
DTXSID50555999,
MFCD00128906,
ZINC16677996,
AKOS026670078,
CS-W004327,
FCH1330229,
ACM20857447,
PS-11386,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.098g/mol |
| Monoisotopic Mass | 215.017g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number