| CAS Number | 57642-02-1 |
| Catalog Number | AG019WP2(AGN-PC-0WO9F5) |
| Chemical Name | 2-bromo-1-(2-methyl-1H-indol-3-yl)ethan-1-one |
| IUPAC Name | 2-bromo-1-(2-methyl-1H-indol-3-yl)ethanone |
| InChI | InChI=1S/C11H10BrNO/c1-7-11(10(14)6-12)8-4-2-3-5-9(8)13-7/h2-5,13H,6H2,1H3 |
| InChI Key | IRPYVISZFBCCTK-UHFFFAOYSA-N |
| MDL Number | MFCD11103552 |
| Molecular Formula | C11H10BrNO |
| Molecular Weight | 252.1072 |
| SMILES | CC1=C(C(CBr)=O)C2=C(C=CC=C2)N1 |
| Synonyms | 2-bromo-1-(2-methyl-1H-indol-3-yl)ethan-1-one,
57642-02-1,
AC1Q2DAB,
2-bromo-1-(2-methyl-indol-3-yl)-ethanone,
CTK5I9192,
ZINC34962688,
AKOS009317056,
MCULE-3661254014,
NE50272,
EN300-52699,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.111g/mol |
| Monoisotopic Mass | 250.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number