| CAS Number | 1158999-98-4 |
| Catalog Number | AG00HD4D(AGN-PC-0WG4D5) |
| Chemical Name | tert-Butyl (2-(6-fluoro-1H-indol-3-yl)ethyl)carbamate |
| IUPAC Name | tert-butyl N-[2-(6-fluoro-1H-indol-3-yl)ethyl]carbamate |
| InChI | InChI=1S/C15H19FN2O2/c1-15(2,3)20-14(19)17-7-6-10-9-18-13-8-11(16)4-5-12(10)13/h4-5,8-9,18H,6-7H2,1-3H3,(H,17,19) |
| InChI Key | OQEFQMQZBMYSDO-UHFFFAOYSA-N |
| MDL Number | MFCD25973287 |
| Molecular Formula | C15H19FN2O2 |
| Molecular Weight | 278.3220 |
| SMILES | CC(C)(C)OC(=O)NCCc1c[nH]c2cc(F)ccc12 |
| Synonyms | tert-Butyl (2-(6-fluoro-1H-indol-3-yl)ethyl)carbamate,
1158999-98-4,
[2-(6-fluoro-1h-indol-3-yl)ethyl]carbamic acid tert-butyl ester,
MFCD25973287,
ZINC211316598,
CS-0035724,
t-Butyl (2-(6-fluoro-1H-indol-3-yl)ethyl)carbamate,
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| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.327g/mol |
| Monoisotopic Mass | 278.143g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 54.1A^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