Catalog | OFC820234239 |
CAS | 820234-23-9 |
Category | Fluorinated Indoles |
Synonyms | (2-Methoxyphenyl)(5-fluoro-1H-indole-1-yl) ketone |
Purity | 97% |
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IUPAC Name | (5-fluoroindol-1-yl)-(2-methoxyphenyl)methanone |
InChI | InChI=1S/C16H12FNO2/c1-20-15-5-3-2-4-13(15)16(19)18-9-8-11-10-12(17)6-7-14(11)18/h2-10H,1H3 |
InChI Key | NHBXRXXPFAKVLN-UHFFFAOYSA-N |
Isomeric SMILES | COC1=CC=CC=C1C(=O)N2C=CC3=C2C=CC(=C3)F |
Molecular Formula | C16H12FNO2 |
Molecular Weight | 269.27 |
XLogP3-AA | 3.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 2 |
Exact Mass | 269.08520679 g/mol |
Monoisotopic Mass | 269.08520679 g/mol |
Topological Polar Surface Area | 31.2Ų |
Heavy Atom Count | 20 |
Formal Charge | 0 |
Complexity | 362 |
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