| CAS Number | 467451-94-1 |
| Catalog Number | AG00DXFN(AGN-PC-0WO3HO) |
| Chemical Name | 1H-INDOLE,5-BROMO-7-ETHYL-(9CI) |
| IUPAC Name | 5-bromo-7-ethyl-1H-indole |
| InChI | InChI=1S/C10H10BrN/c1-2-7-5-9(11)6-8-3-4-12-10(7)8/h3-6,12H,2H2,1H3 |
| InChI Key | SJJDMAUWJKZIJL-UHFFFAOYSA-N |
| MDL Number | MFCD18809061 |
| Molecular Formula | C10H10BrN |
| Molecular Weight | 224.0971 |
| SMILES | BrC=1C=C2C=CNC2=C(C1)CC |
| Synonyms | 5-bromo-7-ethyl-1H-indole,
467451-94-1,
SCHEMBL2536694,
SJJDMAUWJKZIJL-UHFFFAOYSA-N,
ZINC39102524,
1H-Indole,5-bromo-7-ethyl-(9CI),
AKOS026727226,
Z2469698597,
1-(5-bromo-1H-indol-7-yl)ethane,
1H-Indole, 5-bromo-7-ethyl- (9CI),
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.101g/mol |
| Monoisotopic Mass | 223g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number