| CAS Number | 952014-04-9 |
| Catalog Number | AG01A3Y8 |
| Chemical Name | 5-chloro-3-ethyl-2-propyl-1H-indole |
| IUPAC Name | 5-chloro-3-ethyl-2-propyl-1H-indole |
| InChI | InChI=1S/C13H16ClN/c1-3-5-12-10(4-2)11-8-9(14)6-7-13(11)15-12/h6-8,15H,3-5H2,1-2H3 |
| InChI Key | MCQYJSDPIUDIJF-UHFFFAOYSA-N |
| MDL Number | MFCD21219273 |
| Molecular Formula | C13H16ClN |
| Molecular Weight | 221.7258 |
| SMILES | CCCC1=C(CC)C2=C(C=CC(=C2)Cl)N1 |
| Synonyms | 5-chloro-3-ethyl-2-propyl-1H-indole,
952014-04-9,
ZINC37625203,
AKOS014670788,
MCULE-8002776042,
NE44960,
Z1582264105,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.728g/mol |
| Monoisotopic Mass | 221.097g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 15.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number