| CAS Number | 2088135-12-8 |
| Catalog Number | AG01ENI3(AGN-PC-3H45M4) |
| Chemical Name | 2-Chloro-N-(6-methoxy-4-quinolinyl)-5-nitrobenzamide |
| IUPAC Name | 2-chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide |
| InChI | InChI=1S/C17H12ClN3O4/c1-25-11-3-5-15-13(9-11)16(6-7-19-15)20-17(22)12-8-10(21(23)24)2-4-14(12)18/h2-9H,1H3,(H,19,20,22) |
| InChI Key | CVTZAGCRUDYUGB-UHFFFAOYSA-N |
| MDL Number | MFCD31656711 |
| Molecular Formula | C17H12ClN3O4 |
| Molecular Weight | 357.7479 |
| SMILES | O=C(C1=CC([N](=O)=O)=CC=C1Cl)NC2=CC=NC3=C2C=C(OC)C=C3 |
| Synonyms | 2-Chloro-N-(6-methoxy-4-quinolinyl)-5-nitrobenzamide,
2088135-12-8,
AKOS034834100,
SR 16832,
2-chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide,
|
| Complexity | 501 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.75g/mol |
| Monoisotopic Mass | 357.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 97A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number