| CAS Number | 932934-17-3 |
| Catalog Number | AG019EY8 |
| Chemical Name | 5-bromo-2-(prop-2-en-1-yloxy)benzonitrile |
| IUPAC Name | 5-bromo-2-prop-2-enoxybenzonitrile |
| InChI | InChI=1S/C10H8BrNO/c1-2-5-13-10-4-3-9(11)6-8(10)7-12/h2-4,6H,1,5H2 |
| InChI Key | UMIQNDMJNRSONZ-UHFFFAOYSA-N |
| MDL Number | MFCD02257426 |
| Molecular Formula | C10H8BrNO |
| Molecular Weight | 238.0806 |
| SMILES | Brc1ccc(OCC=C)c(c1)C#N |
| Synonyms | 2-(ALLYLOXY)-5-BROMOBENZONITRILE,
932934-17-3,
2-ALlyloxy-5-bromo-benzonitrile,
CTK5J5227,
5-bromo-2-prop-2-enoxybenzonitrile,
MFCD02257426,
AKOS000303804,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.084g/mol |
| Monoisotopic Mass | 236.979g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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