| CAS Number | 56475-44-6 |
| Catalog Number | AG00IA2R(AGN-PC-0WO5JH) |
| Chemical Name | 5-Iodo-2,2-dimethylpentanenitrile |
| IUPAC Name | 5-iodo-2,2-dimethylpentanenitrile |
| InChI | InChI=1S/C7H12IN/c1-7(2,6-9)4-3-5-8/h3-5H2,1-2H3 |
| InChI Key | NWJMCDUSEGNZOU-UHFFFAOYSA-N |
| MDL Number | MFCD21132253 |
| Molecular Formula | C7H12IN |
| Molecular Weight | 237.0814 |
| SMILES | CC(C#N)(CCCI)C |
| Synonyms | 5-iodo-2,2-dimethylpentanenitrile,
56475-44-6,
SCHEMBL15847058,
NWJMCDUSEGNZOU-UHFFFAOYSA-N,
MFCD21132253,
ZINC72232844,
AKOS014315993,
FCH2625924,
NE16718,
AS-51539,
BBV-39873006,
CS-0056105,
EN300-84936,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.084g/mol |
| Monoisotopic Mass | 237.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number