| CAS Number | 1245915-29-0 |
| Catalog Number | AG000MFV(AGN-PC-0WCYZ9) |
| Chemical Name | 3-Pyridinecarbonitrile, 6-chloro-5-(trifluoromethyl)- |
| IUPAC Name | 6-chloro-5-(trifluoromethyl)pyridine-3-carbonitrile |
| InChI | InChI=1S/C7H2ClF3N2/c8-6-5(7(9,10)11)1-4(2-12)3-13-6/h1,3H |
| InChI Key | QEQPZFWFBSRJNA-UHFFFAOYSA-N |
| MDL Number | MFCD12024299 |
| Molecular Formula | C7H2ClF3N2 |
| Molecular Weight | 206.5524 |
| SMILES | N#CC1=CN=C(Cl)C(C(F)(F)F)=C1 |
| Synonyms | 1245915-29-0,
6-Chloro-5-(trifluoromethyl)nicotinonitrile,
3-Pyridinecarbonitrile, 6-chloro-5-(trifluoromethyl)-,
SCHEMBL16648624,
ZINC71244799,
2-Chloro-3-(trifluoromethyl)-5-Cyanopyridine,
6-chloro-5-(trifluoromethyl)pyridine-3-carbonitrile,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.552g/mol |
| Monoisotopic Mass | 205.986g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number