| CAS Number | 590348-31-5 |
| Catalog Number | AG00IAHV |
| Chemical Name | 2-(tert-butyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde |
| IUPAC Name | 2-tert-butyl-4-fluoro-7-methyl-1H-indole-3-carbaldehyde |
| InChI | InChI=1S/C14H16FNO/c1-8-5-6-10(15)11-9(7-17)13(14(2,3)4)16-12(8)11/h5-7,16H,1-4H3 |
| InChI Key | QGJDESBCEXBHLO-UHFFFAOYSA-N |
| MDL Number | MFCD05180856 |
| Molecular Formula | C14H16FNO |
| Molecular Weight | 233.2813 |
| SMILES | O=Cc1c2c(F)ccc(c2[nH]c1C(C)(C)C)C |
| Synonyms | 2-tert-butyl-4-fluoro-7-methyl-1H-indole-3-carbaldehyde,
590348-31-5,
AC1MR8BZ,
IAL-1348,
ZINC3675641,
ZX-BK002034,
BBL021441,
MFCD05180856,
STK894154,
AKOS005143890,
MCULE-8364570436,
NCGC00340054-01,
H8695,
AB01333195-02,
2-(tert-Butyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde,
ZINC03675641,
CID3514003,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.286g/mol |
| Monoisotopic Mass | 233.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number