| CAS Number | 949035-26-1 |
| Catalog Number | AG01A8O3(AGN-PC-0WOCLS) |
| Chemical Name | 1-(6-fluoro-1H-indol-3-yl)ethan-1-one |
| IUPAC Name | 1-(6-fluoro-1H-indol-3-yl)ethanone |
| InChI | InChI=1S/C10H8FNO/c1-6(13)9-5-12-10-4-7(11)2-3-8(9)10/h2-5,12H,1H3 |
| InChI Key | UZFSNUWTPYUTNB-UHFFFAOYSA-N |
| MDL Number | MFCD11105939 |
| Molecular Formula | C10H8FNO |
| Molecular Weight | 177.1750 |
| SMILES | CC(C1C2=C(C=C(C=C2)F)NC=1)=O |
| Synonyms | 1-(6-fluoro-1H-indol-3-yl)ethan-1-one,
949035-26-1,
1-(6-fluoro-1H-indol-3-yl)ethanone,
AC1Q1JZS,
ZINC34977567,
AKOS009343504,
NE43149,
NCGC00321882-01,
Ethanone, 1-(6-fluoro-1H-indol-3-yl)-,
EN300-62134,
AB01318092-02,
1-(6-Fluoro-1H-indol-3-yl)ethanone, AldrichCPR,
Z234897299,
Ethanone, 1-(6-fluoro-1H-indol-3-yl),
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number