| CAS Number | 2517-76-2 |
| Catalog Number | AG01B2GI(AGN-PC-00FAQO) |
| Chemical Name | 3-Iodopropanenitrile |
| IUPAC Name | 3-iodopropanenitrile |
| InChI | InChI=1S/C3H4IN/c4-2-1-3-5/h1-2H2 |
| InChI Key | YYZBPKCINJVSGH-UHFFFAOYSA-N |
| MDL Number | MFCD18430837 |
| Molecular Formula | C3H4IN |
| Molecular Weight | 180.9750 |
| SMILES | N#CCCI |
| Synonyms | 3-iodopropanenitrile,
3-iodopropionitrile,
2517-76-2,
A-Cyanoethyl iodide,
SCHEMBL780333,
YYZBPKCINJVSGH-UHFFFAOYSA-N,
ZINC36404496,
CID11745245,
|
| Complexity | 51.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.939g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 5 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.976g/mol |
| Monoisotopic Mass | 180.939g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number