| CAS Number | 99010-07-8 |
| Catalog Number | AG005T8W(AGN-PC-0NB5TD) |
| Chemical Name | 4-Chloro-6-fluoro-3-nitroquinoline |
| IUPAC Name | 4-chloro-6-fluoro-3-nitroquinoline |
| InChI | InChI=1S/C9H4ClFN2O2/c10-9-6-3-5(11)1-2-7(6)12-4-8(9)13(14)15/h1-4H |
| InChI Key | JTKXABQYVUAKJV-UHFFFAOYSA-N |
| MDL Number | MFCD10687171 |
| Molecular Formula | C9H4ClFN2O2 |
| Molecular Weight | 226.5917 |
| SMILES | [O-][N+](C1=C(Cl)C2=C(C=CC(=C2)F)N=C1)=O |
| Synonyms | 4-chloro-6-fluoro-3-nitro-quinoline,
99010-07-8,
4-chloro-6-fluoro-3-nitroquinoline,
SCHEMBL2244805,
CTK5I0171,
DTXSID30445405,
JTKXABQYVUAKJV-UHFFFAOYSA-N,
MFCD10687171,
ZINC16697563,
AKOS026727643,
AS-37317,
CID10823151,
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| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.591g/mol |
| Monoisotopic Mass | 225.995g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number