| CAS Number | 1616828-53-5 |
| Catalog Number | AG01DVS1 |
| Chemical Name | 6-Bromo-8-Methoxy-3,4-Dihydroquinazolin-4-One |
| IUPAC Name | 6-bromo-8-methoxy-3H-quinazolin-4-one |
| InChI | InChI=1S/C9H7BrN2O2/c1-14-7-3-5(10)2-6-8(7)11-4-12-9(6)13/h2-4H,1H3,(H,11,12,13) |
| InChI Key | IVHVBVMREUQUCX-UHFFFAOYSA-N |
| MDL Number | MFCD28658368 |
| Molecular Formula | C9H7BrN2O2 |
| Molecular Weight | 255.0681 |
| SMILES | BrC=1C=C2C(NC=NC2=C(C1)OC)=O |
| Synonyms | 1616828-53-5,
6-bromo-8-methoxy-3,4-dihydroquinazolin-4-one,
4(3H)-Quinazolinone, 6-bromo-8-methoxy-,
SCHEMBL15845792,
SCHEMBL19878145,
IVHVBVMREUQUCX-UHFFFAOYSA-N,
6-Bromo-8-methoxy-3H-quinazolin-4-one,
6-Bromo-8-methoxyquinazolin-4(3H)-one,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.071g/mol |
| Monoisotopic Mass | 253.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number