| CAS Number | 195874-03-4 |
| Catalog Number | AG00AMUA(AGN-PC-0N9YWM) |
| Chemical Name | 1-(4-bromo-1H-indol-3-yl)ethanone |
| IUPAC Name | 1-(4-bromo-1H-indol-3-yl)ethanone |
| InChI | InChI=1S/C10H8BrNO/c1-6(13)7-5-12-9-4-2-3-8(11)10(7)9/h2-5,12H,1H3 |
| InChI Key | KNZUUSYLBPQSIS-UHFFFAOYSA-N |
| MDL Number | MFCD20489534 |
| Molecular Formula | C10H8BrNO |
| Molecular Weight | 238.0806 |
| SMILES | CC(C1C2=C(C=CC=C2Br)NC=1)=O |
| Synonyms | 1-(4-bromo-1H-indol-3-yl)ethanone,
195874-03-4,
3-Acetyl-4-bromoindole,
Ethanone, 1-(4-bromo-1H-indol-3-yl)-,
3-Acetyl-4-bromo-1H-indole,
SCHEMBL15348693,
DTXSID30444413,
ZINC34433340,
AKOS017975216,
AJ-88517,
CID10752385,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.084g/mol |
| Monoisotopic Mass | 236.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number