| CAS Number | 42879-03-8 |
| Catalog Number | AG01A0GA(AGN-PC-09YJWS) |
| Chemical Name | 4-Bromobut-2-enenitrile |
| IUPAC Name | 4-bromobut-2-enenitrile |
| InChI | InChI=1S/C4H4BrN/c5-3-1-2-4-6/h1-2H,3H2 |
| InChI Key | DNQQWHOUZPHKMD-UHFFFAOYSA-N |
| MDL Number | MFCD20483910 |
| Molecular Formula | C4H4BrN |
| Molecular Weight | 145.9853 |
| SMILES | BrCC=CC#N |
| Synonyms | 42879-03-8,
4-bromobut-2-enenitrile,
2-Butenenitrile, 4-bromo-,
(2E)-4-Bromobut-2-enenitrile, E,
37590-23-1,
CTK1B5542,
CTK1D2962,
DNQQWHOUZPHKMD-UHFFFAOYSA-N,
2-Butenenitrile, 4-bromo-, (E)-,
AKOS026728422,
DA-05911,
FT-0755965,
4-bromo-2-Butenenitrile,
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| Complexity | 87 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.987g/mol |
| Monoisotopic Mass | 144.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1 |
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Certificate of Analysis
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