| CAS Number | 78302-27-9 |
| Catalog Number | AG01EHC2(AGN-PC-064MTT) |
| Chemical Name | 2-(2,6-Dichlorophenoxy)propanenitrile |
| IUPAC Name | 2-(2,6-dichlorophenoxy)propanenitrile |
| InChI | InChI=1S/C9H7Cl2NO/c1-6(5-12)13-9-7(10)3-2-4-8(9)11/h2-4,6H,1H3 |
| InChI Key | IDAFCZRTKFHCGS-UHFFFAOYSA-N |
| MDL Number | MFCD09906532 |
| Molecular Formula | C9H7Cl2NO |
| Molecular Weight | 216.0640 |
| SMILES | CC(OC1=C(Cl)C=CC=C1Cl)C#N |
| Synonyms | 2-(2,6-dichlorophenoxy)propanenitrile,
78302-27-9,
SCHEMBL10776050,
AKOS024151579,
2-(2,6-dichlorophenoxy)-propionitrile,
87789-43-3,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.061g/mol |
| Monoisotopic Mass | 214.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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