| CAS Number | 1030423-43-8 |
| Catalog Number | AG008V6F(AGN-PC-0WB5UI) |
| Chemical Name | 1-Benzyl-1H-indole-6-carbonitrile |
| IUPAC Name | 1-benzylindole-6-carbonitrile |
| InChI | InChI=1S/C16H12N2/c17-11-14-6-7-15-8-9-18(16(15)10-14)12-13-4-2-1-3-5-13/h1-10H,12H2 |
| InChI Key | UYUKKLGDRIKDEO-UHFFFAOYSA-N |
| MDL Number | MFCD15200961 |
| Molecular Formula | C16H12N2 |
| Molecular Weight | 232.2799 |
| SMILES | N1(CC2C=CC=CC=2)C=CC2C=CC(=CC1=2)C#N |
| Synonyms | 1-BENZYL-1H-INDOLE-6-CARBONITRILE,
1030423-43-8,
1-benzylindole-6-carbonitrile,
DTXSID20651891,
ALBB-014159,
ZX-AN012897,
ZX-CM009370,
7725AC,
MFCD15200961,
ZINC20523005,
AKOS005174244,
FCH5429947,
AJ-77849,
BBV-57942393,
FT-0683831,
1-benzyl-1H-indole-6-carbonitrile(SALTDATA,
1H-indole-6-carbonitrile, 1-(phenylmethyl)-,
Y-7586,
I10-1169,
C16H12N2,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.286g/mol |
| Monoisotopic Mass | 232.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number