Catalog | OFC827317237 |
CAS | 827317-23-7 |
Category | Fluorinated Indoles |
Synonyms | 2-(1,2-Dihydro-3H-pyrazol-3-ylidene)-5-fluoro-2H-indole |
Purity | 97% |
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IUPAC Name | 5-fluoro-2-(1H-pyrazol-5-yl)-1H-indole |
InChI | InChI=1S/C11H8FN3/c12-8-1-2-9-7(5-8)6-11(14-9)10-3-4-13-15-10/h1-6,14H,(H,13,15) |
InChI Key | PQUCXQUNCLTUAJ-UHFFFAOYSA-N |
Isomeric SMILES | C1=CC2=C(C=C1F)C=C(N2)C3=CC=NN3 |
Molecular Formula | C11H8FN3 |
Molecular Weight | 201.20 |
XLogP3-AA | 2.1 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 1 |
Exact Mass | 201.07022543 g/mol |
Monoisotopic Mass | 201.07022543 g/mol |
Topological Polar Surface Area | 44.5Ų |
Heavy Atom Count | 15 |
Formal Charge | 0 |
Complexity | 236 |
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