| CAS Number | 1416713-45-5 |
| Catalog Number | AG001GU9(AGN-PC-0WQX1J) |
| Chemical Name | 2-Pyridinecarbonitrile, 6-bromo-5-fluoro- |
| IUPAC Name | 6-bromo-5-fluoropyridine-2-carbonitrile |
| InChI | InChI=1S/C6H2BrFN2/c7-6-5(8)2-1-4(3-9)10-6/h1-2H |
| InChI Key | QWTMUISIEIYTKS-UHFFFAOYSA-N |
| MDL Number | MFCD22684691 |
| Molecular Formula | C6H2BrFN2 |
| Molecular Weight | 200.9959 |
| SMILES | N#CC1=NC(Br)=C(F)C=C1 |
| Synonyms | 6-Bromo-5-fluoropicolinonitrile,
1416713-45-5,
2-Bromo-3-fluoropyridine-6-carbonitrile,
6-Bromo-5-fluoropyridine-2-carbonitrile,
MFCD22684691,
ZINC95616368,
C-0045,
6-bromo-5-fluoropyridine-2-carbonitrile, 95% - 1G 1g,
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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 |
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Certificate of Analysis
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