| CAS Number | 1369050-39-4 |
| Catalog Number | AG01ACAN(AGN-PC-0WO4MY) |
| Chemical Name | 2-(6-chloro-1-methyl-1H-indol-3-yl)acetonitrile |
| IUPAC Name | 2-(6-chloro-1-methylindol-3-yl)acetonitrile |
| InChI | InChI=1S/C11H9ClN2/c1-14-7-8(4-5-13)10-3-2-9(12)6-11(10)14/h2-3,6-7H,4H2,1H3 |
| InChI Key | BIQDLQVNIHSVPS-UHFFFAOYSA-N |
| MDL Number | MFCD21986082 |
| Molecular Formula | C11H9ClN2 |
| Molecular Weight | 204.6556 |
| SMILES | CN1C2=C(C=CC(=C2)Cl)C(CC#N)=C1 |
| Synonyms | 2-(6-chloro-1-methyl-1H-indol-3-yl)acetonitrile,
1369050-39-4,
ZINC82593253,
AKOS022796307,
FCH1575773,
NE50910,
BBV-43531980,
EN300-138334,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.657g/mol |
| Monoisotopic Mass | 204.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number