| CAS Number | 99011-29-7 |
| Catalog Number | AG01DWXV(AGN-PC-03T16M) |
| Chemical Name | 4-Chloro-6,7-dimethoxy-3-nitroquinoline |
| IUPAC Name | 4-chloro-6,7-dimethoxy-3-nitroquinoline |
| InChI | InChI=1S/C11H9ClN2O4/c1-17-9-3-6-7(4-10(9)18-2)13-5-8(11(6)12)14(15)16/h3-5H,1-2H3 |
| InChI Key | FJYMQJYFQAGVFY-UHFFFAOYSA-N |
| MDL Number | MFCD26401253 |
| Molecular Formula | C11H9ClN2O4 |
| Molecular Weight | 268.6532 |
| SMILES | O=[N+]([O-])C1C=NC2C(=CC(=C(C=2)OC)OC)C=1Cl |
| Synonyms | 4-chloro-6,7-dimethoxy-3-nitroquinoline,
99011-29-7,
SCHEMBL246700,
FJYMQJYFQAGVFY-UHFFFAOYSA-N,
ZINC97897222,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.653g/mol |
| Monoisotopic Mass | 268.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number