| CAS Number | 1909305-92-5 |
| Catalog Number | AG002EX4(AGN-PC-0WQUBF) |
| Chemical Name | Quinoline, 8-chloro-7-fluoro- |
| IUPAC Name | 8-chloro-7-fluoroquinoline |
| InChI | InChI=1S/C9H5ClFN/c10-8-7(11)4-3-6-2-1-5-12-9(6)8/h1-5H |
| InChI Key | XZDSHDNATUPBOV-UHFFFAOYSA-N |
| MDL Number | MFCD29047558 |
| Molecular Formula | C9H5ClFN |
| Molecular Weight | 181.5941 |
| SMILES | FC1=C(Cl)C2=C(C=CC=N2)C=C1 |
| Synonyms | 8-chloro-7-fluoroquinoline,
1909305-92-5,
Quinoline, 8-chloro-7-fluoro-,
AKOS033831242,
ZINC299805621,
Z2255111720,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.594g/mol |
| Monoisotopic Mass | 181.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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