| CAS Number | 1087792-03-7 |
| Catalog Number | AG019KU9 |
| Chemical Name | 3-[1-(Chloroacetyl)-1,2,3,6-tetrahydropyridin-4-yl]-1h-indole |
| IUPAC Name | 2-chloro-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone |
| InChI | InChI=1S/C15H15ClN2O/c16-9-15(19)18-7-5-11(6-8-18)13-10-17-14-4-2-1-3-12(13)14/h1-5,10,17H,6-9H2 |
| InChI Key | POXVSAPYKCBJHI-UHFFFAOYSA-N |
| MDL Number | MFCD11099389 |
| Molecular Formula | C15H15ClN2O |
| Molecular Weight | 274.7454 |
| SMILES | ClCC(N1CC=C(C2C3=C(C=CC=C3)NC=2)CC1)=O |
| Synonyms | 2-chloro-1-[4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one,
1087792-03-7,
3-[1-(chloroacetyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indole,
AC1Q3TDZ,
CTK6H4970,
ZINC32626901,
AKOS030652839,
MCULE-9886767381,
NE24330,
EN300-28462,
Z398556870,
|
| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.748g/mol |
| Monoisotopic Mass | 274.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 36.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number