| CAS Number | 1820712-23-9 |
| Catalog Number | AG00I10M |
| Chemical Name | 2-(5-Bromo-3-methylpyridin-2-yl)propanedinitrile |
| IUPAC Name | 2-(5-bromo-3-methylpyridin-2-yl)propanedinitrile |
| InChI | InChI=1S/C9H6BrN3/c1-6-2-8(10)5-13-9(6)7(3-11)4-12/h2,5,7H,1H3 |
| InChI Key | ILSKYRGVWJMVFU-UHFFFAOYSA-N |
| MDL Number | MFCD28127201 |
| Molecular Formula | C9H6BrN3 |
| Molecular Weight | 236.0680 |
| SMILES | N#CC(c1ncc(cc1C)Br)C#N |
| Synonyms | 1820712-23-9,
2-(5-Bromo-3-methylpyridin-2-yl)malononitrile,
2-(5-BROMO-3-METHYLPYRIDIN-2-YL)PROPANEDINITRILE,
ZINC216707011,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.072g/mol |
| Monoisotopic Mass | 234.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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