| CAS Number | 36709-95-2 |
| Catalog Number | AG01DZA4(AGN-PC-0JUXZS) |
| Chemical Name | 2-chloro-1-(1H-indol-2-yl)ethan-1-one |
| IUPAC Name | 2-chloro-1-(1H-indol-2-yl)ethanone |
| InChI | InChI=1S/C10H8ClNO/c11-6-10(13)9-5-7-3-1-2-4-8(7)12-9/h1-5,12H,6H2 |
| InChI Key | FGNVLOKUUCLSCE-UHFFFAOYSA-N |
| MDL Number | MFCD01992461 |
| Molecular Formula | C10H8ClNO |
| Molecular Weight | 193.6296 |
| SMILES | ClCC(C1NC2=C(C=CC=C2)C=1)=O |
| Synonyms | Ethanone, 2-chloro-1-(1H-indol-2-yl)-,
2-chloro-1-(1H-indol-2-yl)ethanone,
36709-95-2,
2-chloroacetylindole,
AC1LEJ3Z,
ARONIS001297,
SCHEMBL7844858,
KS-00003USK,
ZINC54764,
FGNVLOKUUCLSCE-UHFFFAOYSA-N,
2-chloro-1-indol-2-ylethan-1-one,
STK091123,
AKOS000491138,
MCULE-7915284717,
ST035558,
2-chloro-1-(1H-indol-2-yl)-1-ethanone,
2-chloro-1-(1H-indol-2-yl)ethan-1-one,
CID687029,
ZINC00054764,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.63g/mol |
| Monoisotopic Mass | 193.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number