| CAS Number | 903499-28-5 |
| Catalog Number | AG01EL94 |
| Chemical Name | 6-bromo-1-(2-methoxyethyl)-1H-indole |
| IUPAC Name | 6-bromo-1-(2-methoxyethyl)indole |
| InChI | InChI=1S/C11H12BrNO/c1-14-7-6-13-5-4-9-2-3-10(12)8-11(9)13/h2-5,8H,6-7H2,1H3 |
| InChI Key | OLHORQQSBCVCLR-UHFFFAOYSA-N |
| MDL Number | MFCD20486691 |
| Molecular Formula | C11H12BrNO |
| Molecular Weight | 254.1231 |
| SMILES | COCCN1C2=C(C=CC(=C2)Br)C=C1 |
| Synonyms | 6-bromo-1-(2-methoxyethyl)-1H-indole,
SCHEMBL18239404,
903499-28-5,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.127g/mol |
| Monoisotopic Mass | 253.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 14.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number