| CAS Number | 23084-32-4 |
| Catalog Number | AG01AAIL(AGN-PC-04TMX1) |
| Chemical Name | 2-(4-methyl-1H-indol-3-yl)acetonitrile |
| IUPAC Name | 2-(4-methyl-1H-indol-3-yl)acetonitrile |
| InChI | InChI=1S/C11H10N2/c1-8-3-2-4-10-11(8)9(5-6-12)7-13-10/h2-4,7,13H,5H2,1H3 |
| InChI Key | WRDDIXMDIVLTHH-UHFFFAOYSA-N |
| MDL Number | MFCD09954796 |
| Molecular Formula | C11H10N2 |
| Molecular Weight | 170.2105 |
| SMILES | CC1=C2C(NC=C2CC#N)=CC=C1 |
| Synonyms | 2-(4-methyl-1H-indol-3-yl)acetonitrile,
23084-32-4,
4-methylindole-3-acetonitrile,
1H-Indole-3-acetonitrile, 4-methyl-,
AC1Q2GMT,
SCHEMBL1849019,
DTXSID40647998,
WRDDIXMDIVLTHH-UHFFFAOYSA-N,
CM-044,
ZINC26894209,
AKOS009437010,
(4-Methyl-1H-indol-3-yl)acetonitrile,
MCULE-1711509063,
NE25210,
(4-Methyl-1H-indol-3-yl)-acetonitrile,
X3681,
EN300-68711,
Z1258992503,
C11H10N2,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.215g/mol |
| Monoisotopic Mass | 170.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 39.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number