| CAS Number | 1336879-56-1 |
| Catalog Number | AG00HSYU |
| Chemical Name | 1-(5-Bromo-1H-indol-3-yl)-2,2,2-trichloroethanone |
| IUPAC Name | 1-(5-bromo-1H-indol-3-yl)-2,2,2-trichloroethanone |
| InChI | InChI=1S/C10H5BrCl3NO/c11-5-1-2-8-6(3-5)7(4-15-8)9(16)10(12,13)14/h1-4,15H |
| InChI Key | ZYGJNIUTYDBJIA-UHFFFAOYSA-N |
| MDL Number | MFCD09836035 |
| Molecular Formula | C10H5BrCl3NO |
| Molecular Weight | 341.4158 |
| SMILES | BrC1C=CC2=C(C=1)C(=CN2)C(C(Cl)(Cl)Cl)=O |
| Synonyms | 1-(5-Bromo-1H-indol-3-yl)-2,2,2-trichloroethanone,
1336879-56-1,
SCHEMBL16920166,
MFCD09836035,
ZINC97756644,
CS-W000193,
Ethanone, 1-(5-bromo-1H-indol-3-yl)-2,2,2-trichloro-,
1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trichloroethanone,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.862g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.41g/mol |
| Monoisotopic Mass | 338.862g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number