| CAS Number | 5365-25-3 |
| Catalog Number | AG01B7XG(AGN-PC-0JSA1C) |
| Chemical Name | 2-(2,2-Dichlorocyclopropyl)acetonitrile |
| IUPAC Name | 2-(2,2-dichlorocyclopropyl)acetonitrile |
| InChI | InChI=1S/C5H5Cl2N/c6-5(7)3-4(5)1-2-8/h4H,1,3H2 |
| InChI Key | METYSMJJRFRDPP-UHFFFAOYSA-N |
| MDL Number | MFCD00052447 |
| Molecular Formula | C5H5Cl2N |
| Molecular Weight | 150.0059 |
| SMILES | ClC1(C(CC#N)C1)Cl |
| Synonyms | 2-(2,2-dichlorocyclopropyl)acetonitrile,
2,2-Dichlorocyclopropylacetonitrile,
5365-25-3,
AC1LAVME,
METYSMJJRFRDPP-UHFFFAOYSA-N,
(2,2-Dichlorocyclopropyl)acetonitrile,
1,1-dichloro-2-(cyanomethyl)cyclopropane,
CID521461,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.002g/mol |
| Monoisotopic Mass | 148.98g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number