| CAS Number | 1219945-14-8 |
| Catalog Number | AG01BRSK |
| Chemical Name | tert-Butyl 3-(cyanomethyl)-6-fluoro-1H-indole-1-carboxylate |
| IUPAC Name | tert-butyl 3-(cyanomethyl)-6-fluoroindole-1-carboxylate |
| InChI | InChI=1S/C15H15FN2O2/c1-15(2,3)20-14(19)18-9-10(6-7-17)12-5-4-11(16)8-13(12)18/h4-5,8-9H,6H2,1-3H3 |
| InChI Key | IGEXLMJUNKYYSO-UHFFFAOYSA-N |
| MDL Number | MFCD30535870 |
| Molecular Formula | C15H15FN2O2 |
| Molecular Weight | 274.2902 |
| SMILES | CC(OC(N1C2=C(C=CC(=C2)F)C(CC#N)=C1)=O)(C)C |
| Synonyms | tert-butyl 3-(cyanomethyl)-6-fluoro-1h-indole-1-carboxylate,
1219945-14-8,
SCHEMBL1241271,
IGEXLMJUNKYYSO-UHFFFAOYSA-N,
AKOS030760999,
ZINC115637069,
Tert-butyl 6-fluoro-3-(cyanomethyl)-1H-indole-1-carboxylate,
|
| Complexity | 423 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.295g/mol |
| Monoisotopic Mass | 274.112g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number