| CAS Number | 613239-76-2 |
| Catalog Number | AG00EDR7(AGN-PC-03N9TW) |
| Chemical Name | 2-[4-(Chloromethyl)phenyl]-5-(trifluoromethyl)pyridine |
| IUPAC Name | 2-[4-(chloromethyl)phenyl]-5-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C13H9ClF3N/c14-7-9-1-3-10(4-2-9)12-6-5-11(8-18-12)13(15,16)17/h1-6,8H,7H2 |
| InChI Key | JTXHHQDYEHXWPC-UHFFFAOYSA-N |
| MDL Number | MFCD09817479 |
| Molecular Formula | C13H9ClF3N |
| Molecular Weight | 271.6655 |
| SMILES | FC(F)(F)C1=CN=C(C=C1)C1=CC=C(CCl)C=C1 |
| Synonyms | 613239-76-2,
2-[4-(chloromethyl)phenyl]-5-(trifluoromethyl)pyridine,
4-[5-(Trifluoromethyl)pyridin-2-yl]benzyl chloride,
2-(4-(Chloromethyl)phenyl)-5-(trifluoromethyl)pyridine,
SCHEMBL3387516,
CTK5B3048,
DTXSID80624263,
JTXHHQDYEHXWPC-UHFFFAOYSA-N,
ZX-AP000292,
MFCD09817479,
PC8552,
ZINC12370486,
PS-10636,
DB-072937,
RT-008082,
FT-0752841,
A833165,
2-(4-Chloromethyl-phenyl) 5-trifluoromethyl-pyridine,
2-(4-Chloromethyl-phenyl)-5-trifluoromethyl-pyridine,
I01-17395,
4-[5-(TRIFLUOROMETHYL)(PYRIDIN-2-YL)]BENZYL CHLORIDE,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.667g/mol |
| Monoisotopic Mass | 271.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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