| CAS Number | 1522608-25-8 |
| Catalog Number | AG01DTNS(AGN-PC-0WCMZN) |
| Chemical Name | 5-methyl-1H-indole-2-carbonitrile |
| IUPAC Name | 5-methyl-1H-indole-2-carbonitrile |
| InChI | InChI=1S/C10H8N2/c1-7-2-3-10-8(4-7)5-9(6-11)12-10/h2-5,12H,1H3 |
| InChI Key | GSISCDAYSLZSLY-UHFFFAOYSA-N |
| MDL Number | MFCD28506299 |
| Molecular Formula | C10H8N2 |
| Molecular Weight | 156.1839 |
| SMILES | N#Cc1cc2c([nH]1)ccc(c2)C |
| Synonyms | 5-methyl-1H-indole-2-carbonitrile,
1522608-25-8,
SCHEMBL806284,
GSISCDAYSLZSLY-UHFFFAOYSA-N,
ZINC82200438,
FCH3805625,
AX8328174,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.188g/mol |
| Monoisotopic Mass | 156.069g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 39.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number