| CAS Number | 19481-79-9 |
| Catalog Number | AG0074HU(AGN-PC-0JSPZB) |
| Chemical Name | Propanenitrile, 2-iodo-2-methyl- |
| IUPAC Name | 2-iodo-2-methylpropanenitrile |
| InChI | InChI=1S/C4H6IN/c1-4(2,5)3-6/h1-2H3 |
| InChI Key | DBESYUOJKJZGLV-UHFFFAOYSA-N |
| MDL Number | MFCD28384148 |
| Molecular Formula | C4H6IN |
| Molecular Weight | 195.0016 |
| SMILES | IC(C#N)(C)C |
| Synonyms | 2-Iodo-2-methylpropionitrile,
19481-79-9,
2-Iodo-2-methylpropanenitrile,
2-Iodoisobutyronitrile,
AC1LC7BE,
SCHEMBL905198,
CTK0A0715,
2-Iodo-2-methylpropanenitrile #,
DTXSID30338469,
DBESYUOJKJZGLV-UHFFFAOYSA-N,
Propanenitrile, 2-iodo-2-methyl-,
KS-000017WH,
MFCD28384148,
ZINC32214599,
I0954,
CID549274,
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| Complexity | 87 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.003g/mol |
| Monoisotopic Mass | 194.954g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number