| CAS Number | 1214342-03-6 |
| Catalog Number | AG003AVP(AGN-PC-0WQVO5) |
| Chemical Name | 3-(3-Fluoro-4-nitrophenyl)pyridine |
| IUPAC Name | 3-(3-fluoro-4-nitrophenyl)pyridine |
| InChI | InChI=1S/C11H7FN2O2/c12-10-6-8(3-4-11(10)14(15)16)9-2-1-5-13-7-9/h1-7H |
| InChI Key | OSRAEPDZOMIARD-UHFFFAOYSA-N |
| MDL Number | MFCD15475669 |
| Molecular Formula | C11H7FN2O2 |
| Molecular Weight | 218.1839 |
| SMILES | [O-][N+](C1=C(F)C=C(C2=CN=CC=C2)C=C1)=O |
| Synonyms | 3-(3-fluoro-4-nitrophenyl)pyridine,
1214342-03-6,
MFCD15475669,
ZINC47213527,
CS-0037953,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.187g/mol |
| Monoisotopic Mass | 218.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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