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2,3-Dibromopropionitrile
| Catalog Number | ACM4554169 |
| CAS | 4554-16-9 |
| Structure |  |
| IUPAC Name | 2,3-dibromopropanenitrile |
| Synonyms | 2,3-Dibromopropionitrile;4554-16-9;2,3-Dibromopropanenitrile;2,3-Dibromo-propionitrile;Propanenitrile, 2,3-dibromo-;Caswell No. 287B;2,3-Dibromopropiononitrile;1,2-Dibromopropionitrile;C3H3Br2N;Propanenitrile,2,3-dibromo-;EINECS 224-925-6;EPA Pesticide Chemical Code 287400;2,3-Dibromopropanitrile;2,3-Dibromopropanenitrile #;SCHEMBL651694;ARRIEYYNOLTVTE-UHFFFAOYSA-;DTXSID20863417;3926AE;MFCD00001857;AKOS015833922;AS-48004;DB-051317;FT-0609528;Y-8870;554D169;W-106128;Q27278333 |
| Molecular Weight | 212.87g/mol |
| Molecular Formula | C3H3Br2N |
| Canonical SMILES | C(C(C#N)Br)Br |
| InChI | InChI=1S/C3H3Br2N/c4-1-3(5)2-6/h3H,1H2 |
| InChI Key | ARRIEYYNOLTVTE-UHFFFAOYSA-N |
| Complexity | 72.1 |
| Covalently-Bonded Unit Count | 1 |
| EC Number | 224-925-6 |
| Exact Mass | 212.86117g/mol |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 1 |
| Monoisotopic Mass | 210.86322g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8Ų |
| X Log P3 | 1.6 |
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