| CAS Number | 1420885-98-8 |
| Catalog Number | AG01DTFG |
| Chemical Name | 4-Chloro-2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-B]pyridine |
| IUPAC Name | 4-chloro-2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine |
| InChI | InChI=1S/C14H7ClF4N2/c15-12-9-5-11(7-1-3-8(16)4-2-7)21-13(9)20-6-10(12)14(17,18)19/h1-6H,(H,20,21) |
| InChI Key | YNUOOLDEBSLIDP-UHFFFAOYSA-N |
| MDL Number | MFCD25542136 |
| Molecular Formula | C14H7ClF4N2 |
| Molecular Weight | 314.6654 |
| SMILES | Fc1ccc(cc1)c1cc2c([nH]1)ncc(c2Cl)C(F)(F)F |
| Synonyms | 4-CHLORO-2-(4-FLUOROPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRROLO[2,3-B]PYRIDINE,
1420885-98-8,
SCHEMBL14723002,
YNUOOLDEBSLIDP-UHFFFAOYSA-N,
AKOS027331978,
4-chloro-2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]-pyridine,
|
| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.668g/mol |
| Monoisotopic Mass | 314.023g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
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Certificate of Analysis
Lot Number