| CAS Number | 91961-09-0 |
| Catalog Number | AG01DIXY(AGN-PC-0ON1T7) |
| Chemical Name | 4-chloro-2-(2-nitrophenyl)quinazoline |
| IUPAC Name | 4-chloro-2-(2-nitrophenyl)quinazoline |
| InChI | InChI=1S/C14H8ClN3O2/c15-13-9-5-1-3-7-11(9)16-14(17-13)10-6-2-4-8-12(10)18(19)20/h1-8H |
| InChI Key | BIHCDKXSYZRVRB-UHFFFAOYSA-N |
| MDL Number | MFCD30293764 |
| Molecular Formula | C14H8ClN3O2 |
| Molecular Weight | 285.6852 |
| SMILES | [O-][N+](=O)c1ccccc1-c1nc(Cl)c2ccccc2n1 |
| Synonyms | 4-Chloro-2-(2-nitrophenyl)quinazoline,
91961-09-0,
MFCD30293764,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.687g/mol |
| Monoisotopic Mass | 285.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
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