| CAS Number | 1353636-72-2 |
| Catalog Number | AG009YW3(AGN-PC-0WA89U) |
| Chemical Name | 3-Bromo-5-fluoroisonicotinamide |
| IUPAC Name | 3-bromo-5-fluoropyridine-4-carboxamide |
| InChI | InChI=1S/C6H4BrFN2O/c7-3-1-10-2-4(8)5(3)6(9)11/h1-2H,(H2,9,11) |
| InChI Key | CBKWWOPTBBELNC-UHFFFAOYSA-N |
| MDL Number | MFCD20524845 |
| Molecular Formula | C6H4BrFN2O |
| Molecular Weight | 219.0112 |
| SMILES | NC(C1=C(Br)C=NC=C1F)=O |
| Synonyms | 3-Bromo-5-fluoroisonicotinamide,
1353636-72-2,
3-bromo-5-fluoropyridine-4-carboxamide,
AK132934,
DTXSID70856253,
MFCD20524845,
ZINC71654881,
AKOS016014975,
DS-2931,
FCH1418078,
MP-1134,
AB0061808,
AJ-118418,
AX8248139,
ST2417558,
4CH-012394,
Z4108,
Z1741982373,
C6H4BrFN2O,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.013g/mol |
| Monoisotopic Mass | 217.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number