| CAS Number | 37590-23-1 |
| Catalog Number | AG00CQWV(AGN-PC-0O9H3P) |
| Chemical Name | (2E)-4-bromobut-2-enenitrile |
| IUPAC Name | (E)-4-bromobut-2-enenitrile |
| InChI | InChI=1S/C4H4BrN/c5-3-1-2-4-6/h1-2H,3H2/b2-1+ |
| InChI Key | DNQQWHOUZPHKMD-OWOJBTEDSA-N |
| MDL Number | MFCD20483910 |
| Molecular Formula | C4H4BrN |
| Molecular Weight | 145.9853 |
| SMILES | BrC/C=C/C#N |
| Synonyms | 4-bromo-2-Butenenitrile,
4-bromobut-2-enenitrile,
42879-03-8,
37590-23-1,
(2E)-4-Bromobut-2-enenitrile, E,
4-bromocrotononitrile,
SCHEMBL1498845,
ZINC38282068,
NE25722,
(E)-4-bromobut-2-enenitrile,
CID11126402,
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| Complexity | 87 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 144.95271g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.99g/mol |
| Monoisotopic Mass | 144.95271g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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