| CAS Number | 858232-97-0 |
| Catalog Number | AG00G73Y(AGN-PC-0WBOCP) |
| Chemical Name | 2-(7-methyl-1H-indol-3-yl)acetonitrile |
| IUPAC Name | 2-(7-methyl-1H-indol-3-yl)acetonitrile |
| InChI | InChI=1S/C11H10N2/c1-8-3-2-4-10-9(5-6-12)7-13-11(8)10/h2-4,7,13H,5H2,1H3 |
| InChI Key | LLHXXGYXFMACFJ-UHFFFAOYSA-N |
| MDL Number | MFCD04972089 |
| Molecular Formula | C11H10N2 |
| Molecular Weight | 170.2105 |
| SMILES | CC1=C2C(C(=CN2)CC#N)=CC=C1 |
| Synonyms | 858232-97-0,
2-(7-methyl-1H-indol-3-yl)acetonitrile,
7-METHYLINDOLE-3-ACETONITRILE,
7-Methyl-1H-indole-3-acetonitrile,
SCHEMBL15267239,
CTK6C1852,
ZINC2539075,
1h-indole-3-acetonitrile,7-methyl-,
4851AH,
CM-702,
MFCD04972089,
1H-Indole-3-acetonitrile, 7-methyl-,
AKOS005259025,
(7-methyl-1H-indol-3-yl)acetonitrile,
MCULE-5375119433,
EN300-82449,
A-7560,
Z1250222485,
C11H10N2,
|
| 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
Certificate of Analysis
Lot Number