| CAS Number | 883546-72-3 |
| Catalog Number | AG01EY6V(AGN-PC-0WBV0D) |
| Chemical Name | 2-Chloro-1-(6-Fluoro-1H-Indol-3-Yl)Ethan-1-One |
| IUPAC Name | 2-chloro-1-(6-fluoro-1H-indol-3-yl)ethanone |
| InChI | InChI=1S/C10H7ClFNO/c11-4-10(14)8-5-13-9-3-6(12)1-2-7(8)9/h1-3,5,13H,4H2 |
| InChI Key | DORWTPUKOURUQP-UHFFFAOYSA-N |
| MDL Number | MFCD08056128 |
| Molecular Formula | C10H7ClFNO |
| Molecular Weight | 211.6201 |
| SMILES | FC1=CC2=C(C=C1)C(C(CCl)=O)=CN2 |
| Synonyms | 2-Chloro-1-(6-fluoro-1H-indol-3-yl)-ethanone,
883546-72-3,
2-chloro-1-(6-fluoro-1H-indol-3-yl)ethanone,
BAS 13828027,
AC1O5KDE,
CTK6H4592,
ZINC6678421,
AKOS000301987,
MCULE-2171928608,
TR-045206,
ST50401179,
2-chloro-1-(6-fluoroindol-3-yl)ethan-1-one,
CID6485536,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.62g/mol |
| Monoisotopic Mass | 211.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number