| CAS Number | 1250022-24-2 |
| Catalog Number | AG000MYU(AGN-PC-0EQN3V) |
| Chemical Name | 2-Pyrazinecarbonitrile, 3-bromo- |
| IUPAC Name | 3-bromopyrazine-2-carbonitrile |
| InChI | InChI=1S/C5H2BrN3/c6-5-4(3-7)8-1-2-9-5/h1-2H |
| InChI Key | NAPIQNUAYLKBHM-UHFFFAOYSA-N |
| MDL Number | MFCD16842970 |
| Molecular Formula | C5H2BrN3 |
| Molecular Weight | 183.9935 |
| SMILES | N#CC1=NC=CN=C1Br |
| Synonyms | 3-bromopyrazine-2-carbonitrile,
1250022-24-2,
2-Pyrazinecarbonitrile, 3-bromo-,
2-bromo-cyanopyrazine,
SCHEMBL620327,
KS-00003TBC,
NAPIQNUAYLKBHM-UHFFFAOYSA-N,
MFCD16842970,
ZINC54378496,
AKOS011968175,
MCULE-3702503720,
NE34578,
RP24437,
TS-02562,
AJ-112303,
N/A,
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| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.943g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.996g/mol |
| Monoisotopic Mass | 182.943g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number