| CAS Number | 1082325-97-0 |
| Catalog Number | AG01APHL |
| Chemical Name | 1-ethyl-3-isocyanato-1H-indole |
| IUPAC Name | 1-ethyl-3-isocyanatoindole |
| InChI | InChI=1S/C11H10N2O/c1-2-13-7-10(12-8-14)9-5-3-4-6-11(9)13/h3-7H,2H2,1H3 |
| InChI Key | FODZVVNTPLQEKX-UHFFFAOYSA-N |
| MDL Number | MFCD11588130 |
| Molecular Formula | C11H10N2O |
| Molecular Weight | 186.2099 |
| SMILES | CCN1C2=C(C=CC=C2)C(N=C=O)=C1 |
| Synonyms | 1-ethyl-3-isocyanato-1H-indole,
1082325-97-0,
ZINC19723539,
AKOS006318363,
F2147-1208,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.214g/mol |
| Monoisotopic Mass | 186.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number