| CAS Number | 1219930-11-6 |
| Catalog Number | AG0016IR(AGN-PC-0WB2PP) |
| Chemical Name | 1-(5-fluoro-1H-indol-2-yl)ethanone |
| IUPAC Name | 1-(5-fluoro-1H-indol-2-yl)ethanone |
| InChI | InChI=1S/C10H8FNO/c1-6(13)10-5-7-4-8(11)2-3-9(7)12-10/h2-5,12H,1H3 |
| InChI Key | UQHAFOPXGYRFQO-UHFFFAOYSA-N |
| MDL Number | MFCD21188560 |
| Molecular Formula | C10H8FNO |
| Molecular Weight | 177.1750 |
| SMILES | FC2(=CC1(=C(NC(=C1)C(=O)C)C=C2)) |
| Synonyms | 1-(5-fluoro-1H-indol-2-yl)ethanone,
1219930-11-6,
1-(5-fluoro-1H-indol-2-yl)ethan-1-one,
SCHEMBL2730226,
KS-00002B8B,
ZINC82320113,
AKOS014668536,
SS-4424,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.178g/mol |
| Monoisotopic Mass | 177.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number