| CAS Number | 412022-79-8 |
| Catalog Number | AG019JWA |
| Chemical Name | 2-Chloro-1-(2-phenyl-1h-indol-3-yl)ethan-1-one |
| IUPAC Name | 2-chloro-1-(2-phenyl-1H-indol-3-yl)ethanone |
| InChI | InChI=1S/C16H12ClNO/c17-10-14(19)15-12-8-4-5-9-13(12)18-16(15)11-6-2-1-3-7-11/h1-9,18H,10H2 |
| InChI Key | QXRBUGZOPDWQSM-UHFFFAOYSA-N |
| MDL Number | MFCD06349004 |
| Molecular Formula | C16H12ClNO |
| Molecular Weight | 269.7256 |
| SMILES | ClCC(=O)C1=C(NC2=CC=CC=C12)C1=CC=CC=C1 |
| Synonyms | 2-chloro-1-(2-phenyl-1H-indol-3-yl)ethan-1-one,
412022-79-8,
2-chloro-1-(2-phenyl-1H-indol-3-yl)ethanone,
AC1M2MIT,
AC1Q3T9E,
CTK6H4555,
ZINC2656177,
MFCD06349004,
AKOS008967645,
MCULE-2902774558,
NE32270,
EN300-10573,
1-(2-Phenyl-1H-indole-3-yl)-2-chloroethanone,
Z57014416,
ZINC02656177,
CID2119872,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.728g/mol |
| Monoisotopic Mass | 269.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number