| CAS Number | 1256788-71-2 |
| Catalog Number | AG000OCE(AGN-PC-0WNR7I) |
| Chemical Name | 2-Pyridinecarbonitrile, 6-bromo-3-fluoro- |
| IUPAC Name | 6-bromo-3-fluoropyridine-2-carbonitrile |
| InChI | InChI=1S/C6H2BrFN2/c7-6-2-1-4(8)5(3-9)10-6/h1-2H |
| InChI Key | QEDRILCEVHHUKB-UHFFFAOYSA-N |
| MDL Number | MFCD18258633 |
| Molecular Formula | C6H2BrFN2 |
| Molecular Weight | 200.9959 |
| SMILES | N#CC1=NC(Br)=CC=C1F |
| Synonyms | 6-Bromo-3-fluoropicolinonitrile,
1256788-71-2,
SCHEMBL17112344,
ZINC88190170,
AKOS024462866,
FCH1366081,
BBV-40242188,
2-Pyridinecarbonitrile, 6-bromo-3-fluoro-,
AJ-128178,
EN300-188896,
6-BROMO-3-FLUOROPYRIDINE-2-CARBONITRILE,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.939g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.998g/mol |
| Monoisotopic Mass | 199.939g/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