| CAS Number | 857776-47-7 |
| Catalog Number | AG00IDRT(AGN-PC-0WRACN) |
| Chemical Name | 2-(2,5-dimethylphenyl)-1H-indole |
| IUPAC Name | 2-(2,5-dimethylphenyl)-1H-indole |
| InChI | InChI=1S/C16H15N/c1-11-7-8-12(2)14(9-11)16-10-13-5-3-4-6-15(13)17-16/h3-10,17H,1-2H3 |
| InChI Key | SOJRREASARRWBU-UHFFFAOYSA-N |
| MDL Number | MFCD05224917 |
| Molecular Formula | C16H15N |
| Molecular Weight | 221.2970 |
| SMILES | Cc1ccc(c(c1)c1cc2c([nH]1)cccc2)C |
| Synonyms | 2-(2,5-dimethylphenyl)-1H-indole,
857776-47-7,
AIN-1755,
ZINC1519049,
ZX-BK002896,
BBL021955,
MFCD05224917,
STK894673,
AKOS005143690,
MCULE-6800544760,
NCGC00320478-01,
H8670,
AB01315822-02,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.303g/mol |
| Monoisotopic Mass | 221.12g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number