| CAS Number | 92462-70-9 |
| Catalog Number | AG00H115(AGN-PC-03I147) |
| Chemical Name | 5-(tert-Butyl)-1H-indole |
| IUPAC Name | 5-tert-butyl-1H-indole |
| InChI | InChI=1S/C12H15N/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11/h4-8,13H,1-3H3 |
| InChI Key | QXJXPMHKYYMECP-UHFFFAOYSA-N |
| MDL Number | MFCD20668007 |
| Molecular Formula | C12H15N |
| Molecular Weight | 173.2542 |
| SMILES | CC(C1=CC2=C(NC=C2)C=C1)(C)C |
| Synonyms | 5-(tert-Butyl)-1H-indole,
92462-70-9,
5-tert-Butyl-1H-indole,
5-tert-butylindole,
SCHEMBL762037,
QXJXPMHKYYMECP-UHFFFAOYSA-N,
MFCD20668007,
ZINC82587731,
AKOS022794459,
FCH1249275,
AK341930,
AX8296747,
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| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.259g/mol |
| Monoisotopic Mass | 173.12g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number