| CAS Number | 1189128-09-3 |
| Catalog Number | AG01D8PE |
| Chemical Name | 6-(dibromomethyl)nicotinonitrile |
| IUPAC Name | 6-(dibromomethyl)pyridine-3-carbonitrile |
| InChI | InChI=1S/C7H4Br2N2/c8-7(9)6-2-1-5(3-10)4-11-6/h1-2,4,7H |
| InChI Key | YQIQAYTUTMHOTP-UHFFFAOYSA-N |
| MDL Number | MFCD28662189 |
| Molecular Formula | C7H4Br2N2 |
| Molecular Weight | 275.9281 |
| SMILES | BrC(Br)C1=NC=C(C=C1)C#N |
| Synonyms | 6-(Dibromomethyl)nicotinonitrile,
3-Pyridinecarbonitrile, 6-(dibromomethyl)-,
1189128-09-3,
MFCD28662189,
ZINC307067734,
CS-W000309,
AS-44462,
SC-94774,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.872g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.931g/mol |
| Monoisotopic Mass | 273.874g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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