| CAS Number | 1256821-83-6 |
| Catalog Number | AG000OG7(AGN-PC-0WAGTY) |
| Chemical Name | 3-Pyridinecarbonitrile, 5-bromo-2-fluoro- |
| IUPAC Name | 5-bromo-2-fluoropyridine-3-carbonitrile |
| InChI | InChI=1S/C6H2BrFN2/c7-5-1-4(2-9)6(8)10-3-5/h1,3H |
| InChI Key | IKJFCBRIICKXPQ-UHFFFAOYSA-N |
| MDL Number | MFCD18258637 |
| Molecular Formula | C6H2BrFN2 |
| Molecular Weight | 200.9959 |
| SMILES | N#CC1=C(F)N=CC(Br)=C1 |
| Synonyms | 5-Bromo-2-fluoronicotinonitrile,
1256821-83-6,
5-Bromo-2-fluoro-nicotinonitrile,
AK154860,
SCHEMBL15972115,
KS-00000QXC,
IKJFCBRIICKXPQ-UHFFFAOYSA-N,
MFCD18258637,
ZINC98086060,
AKOS024260781,
CS-W006991,
DS-8189,
FCH1366085,
3-Pyridinecarbonitrile, 5-bromo-2-fluoro-,
AJ-138516,
AX8242479,
ST2406105,
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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 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number