| CAS Number | 1009334-65-9 |
| Catalog Number | AG01DKPQ(AGN-PC-0WOLBG) |
| Chemical Name | 3-PYRIDINECARBONITRILE, 4-CHLORO-5-FLUORO- |
| IUPAC Name | 4-chloro-5-fluoropyridine-3-carbonitrile |
| InChI | InChI=1S/C6H2ClFN2/c7-6-4(1-9)2-10-3-5(6)8/h2-3H |
| InChI Key | ADWNZVMFRDVHBL-UHFFFAOYSA-N |
| MDL Number | MFCD13191767 |
| Molecular Formula | C6H2ClFN2 |
| Molecular Weight | 156.5449 |
| SMILES | ClC1=C(C=NC=C1C#N)F |
| Synonyms | 4-Chloro-5-fluoronicotinonitrile,
1009334-65-9,
4-chloro-5-fluoro-3-Pyridinecarbonitrile,
SCHEMBL1215960,
4-chloro-5-fluoro-nicotinonitrile,
ADWNZVMFRDVHBL-UHFFFAOYSA-N,
MFCD13191767,
ZINC115568553,
3-Pyridinecarbonitrile, 4-chloro-5-fluoro-,
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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 | 155.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.544g/mol |
| Monoisotopic Mass | 155.989g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number