| CAS Number | 1260024-26-7 |
| Catalog Number | AG01DTNL |
| Chemical Name | 2-Bromo-3-methylisonicotinonitrile |
| IUPAC Name | 2-bromo-3-methylpyridine-4-carbonitrile |
| InChI | InChI=1S/C7H5BrN2/c1-5-6(4-9)2-3-10-7(5)8/h2-3H,1H3 |
| InChI Key | UHJBPOXXHHFFCK-UHFFFAOYSA-N |
| MDL Number | MFCD28665862 |
| Molecular Formula | C7H5BrN2 |
| Molecular Weight | 197.0320 |
| SMILES | N#Cc1ccnc(c1C)Br |
| Synonyms | 2-Bromo-3-methylisonicotinonitrile,
1260024-26-7,
4-Pyridinecarbonitrile, 2-bromo-3-methyl-,
SCHEMBL2136972,
UHJBPOXXHHFFCK-UHFFFAOYSA-N,
2-bromo-3-methyl-4-pyridinecarbonitrile,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.035g/mol |
| Monoisotopic Mass | 195.964g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number