| CAS Number | 4393-93-5 |
| Catalog Number | AG01DOP4(AGN-PC-0WC915) |
| Chemical Name | 4-[2-Chloro-5-(trifluoromethyl)phenyl]pyridine |
| IUPAC Name | 4-[2-chloro-5-(trifluoromethyl)phenyl]pyridine |
| InChI | InChI=1S/C12H7ClF3N/c13-11-2-1-9(12(14,15)16)7-10(11)8-3-5-17-6-4-8/h1-7H |
| InChI Key | CYTHNPRWSZLPQF-UHFFFAOYSA-N |
| MDL Number | MFCD15475198 |
| Molecular Formula | C12H7ClF3N |
| Molecular Weight | 257.6389 |
| SMILES | Clc1ccc(cc1c1ccncc1)C(F)(F)F |
| Synonyms | 4-[2-chloro-5-(trifluoromethyl)phenyl]pyridine,
4393-93-5,
4-(2-Chloro-5-(trifluoromethyl)phenyl)pyridine,
DTXSID10673527,
3682AE,
ZINC47212497,
AKOS027420646,
Z-1653,
C12H7ClF3N,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.64g/mol |
| Monoisotopic Mass | 257.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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