| CAS Number | 1065074-72-7 |
| Catalog Number | AG003QBS(AGN-PC-07XU04) |
| Chemical Name | Ethyl 5-(5-bromo-1H-indol-1-yl)pentanoate |
| IUPAC Name | ethyl 5-(5-bromoindol-1-yl)pentanoate |
| InChI | InChI=1S/C15H18BrNO2/c1-2-19-15(18)5-3-4-9-17-10-8-12-11-13(16)6-7-14(12)17/h6-8,10-11H,2-5,9H2,1H3 |
| InChI Key | GNJZABGSSONURL-UHFFFAOYSA-N |
| MDL Number | MFCD11053866 |
| Molecular Formula | C15H18BrNO2 |
| Molecular Weight | 324.2129 |
| SMILES | O=C(OCC)CCCCN1C=CC2=C1C=CC(Br)=C2 |
| Synonyms | Ethyl 5-(5-bromo-1H-indol-1-yl)pentanoate,
1065074-72-7,
ACMC-2098kz,
CTK4A4593,
DTXSID70674631,
ANW-15393,
MFCD11053866,
ZINC38537127,
AKOS015834784,
RTR-001299,
AJ-95908,
AX8230670,
TR-001299,
ST24024977,
Z6887,
A-4398,
I10-867,
C15H18BrNO2,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.218g/mol |
| Monoisotopic Mass | 323.052g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 31.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number