| CAS Number | 858238-17-2 |
| Catalog Number | AG01DMNW |
| Chemical Name | 7-Chloro-6-methoxyquinazolin-4(3H)-one |
| IUPAC Name | 7-chloro-6-methoxy-3H-quinazolin-4-one |
| InChI | InChI=1S/C9H7ClN2O2/c1-14-8-2-5-7(3-6(8)10)11-4-12-9(5)13/h2-4H,1H3,(H,11,12,13) |
| InChI Key | WXKMNWBPCZFSST-UHFFFAOYSA-N |
| MDL Number | MFCD24568600 |
| Molecular Formula | C9H7ClN2O2 |
| Molecular Weight | 210.6171 |
| SMILES | O=C1NC=NC2=C1C=C(OC)C(Cl)=C2 |
| Synonyms | 7-Chloro-6-methoxyquinazolin-4(3H)-one,
858238-17-2,
MFCD24568600,
ZINC238400891,
FCH1881375,
AK431047,
DS-18738,
AX8278510,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.617g/mol |
| Monoisotopic Mass | 210.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number