| CAS Number | 1889970-48-2 |
| Catalog Number | AG00IMP8 |
| Chemical Name | 2-amino-3-(2,4-dichlorophenyl)propanenitrile |
| IUPAC Name | 2-amino-3-(2,4-dichlorophenyl)propanenitrile |
| InChI | InChI=1S/C9H8Cl2N2/c10-7-2-1-6(9(11)4-7)3-8(13)5-12/h1-2,4,8H,3,13H2 |
| InChI Key | FXVJGBOPURMEHC-UHFFFAOYSA-N |
| MDL Number | MFCD31617963 |
| Molecular Formula | C9H8Cl2N2 |
| Molecular Weight | 215.0792 |
| SMILES | N#CC(CC1=CC=C(C=C1Cl)Cl)N |
| Synonyms | 2-amino-3-(2,4-dichlorophenyl)propanenitrile,
1889970-48-2,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.077g/mol |
| Monoisotopic Mass | 214.006g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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