| CAS Number | 1369055-82-2 |
| Catalog Number | AG0012JC(AGN-PC-0WAM0T) |
| Chemical Name | 1H-Indole-3-carboxaldehyde, 5-(1,1-dimethylethyl)- |
| IUPAC Name | 5-tert-butyl-1H-indole-3-carbaldehyde |
| InChI | InChI=1S/C13H15NO/c1-13(2,3)10-4-5-12-11(6-10)9(8-15)7-14-12/h4-8,14H,1-3H3 |
| InChI Key | HTONYGNSUGDWPU-UHFFFAOYSA-N |
| MDL Number | MFCD21985552 |
| Molecular Formula | C13H15NO |
| Molecular Weight | 201.2643 |
| SMILES | C(C)(C)(C)C=1C=C2C(=CNC2=CC1)C=O |
| Synonyms | 1369055-82-2,
5-(tert-Butyl)-1H-indole-3-carbaldehyde,
5-tert-butyl-1H-indole-3-carbaldehyde,
5-(tert-Butyl)indole-3-carbaldehyde,
5-t-Butyl-1H-indole-3-carbaldehyde,
MFCD21985552,
ZINC82591992,
AKOS022795745,
KS-000000Z8,
1H-Indole-3-carboxaldehyde, 5-(1,1-dimethylethyl)-,
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| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.269g/mol |
| Monoisotopic Mass | 201.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number