| CAS Number | 76778-00-2 |
| Catalog Number | AG01ABY6(AGN-PC-0N0FUN) |
| Chemical Name | 1-Iodobut-2-yne |
| IUPAC Name | 1-iodobut-2-yne |
| InChI | InChI=1S/C4H5I/c1-2-3-4-5/h4H2,1H3 |
| InChI Key | LKAIOZOVAZYTRN-UHFFFAOYSA-N |
| MDL Number | MFCD20414822 |
| Molecular Formula | C4H5I |
| Molecular Weight | 179.9870 |
| SMILES | CC#CCI |
| Synonyms | 1-iodobut-2-yne,
76778-00-2,
2-butyne iodide,
1-iodo-2-butyne,
SCHEMBL4657532,
ZINC82880108,
AKOS014117374,
NE32685,
Propargyl iodide,
CID10197944,
|
| Complexity | 62.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 5 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.988g/mol |
| Monoisotopic Mass | 179.944g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number