| CAS Number | 1209498-47-4 |
| Catalog Number | AG019ZAF(AGN-PC-0WO9UL) |
| Chemical Name | 6-Bromo-8-fluoroquinazolin-4-ol |
| IUPAC Name | 6-bromo-8-fluoro-3H-quinazolin-4-one |
| InChI | InChI=1S/C8H4BrFN2O/c9-4-1-5-7(6(10)2-4)11-3-12-8(5)13/h1-3H,(H,11,12,13) |
| InChI Key | CXKSQZXRXUJVGQ-UHFFFAOYSA-N |
| MDL Number | MFCD22369878 |
| Molecular Formula | C8H4BrFN2O |
| Molecular Weight | 243.0326 |
| SMILES | BrC=1C=C2C(NC=NC2=C(C1)F)=O |
| Synonyms | 6-bromo-8-fluoroquinazolin-4-ol,
1209498-47-4,
6-Bromo-8-fluoroquinazolin-4(3H)-one,
SCHEMBL3226647,
SCHEMBL18130618,
ZINC74942021,
AKOS026729243,
MCULE-1659091116,
NE23904,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.035g/mol |
| Monoisotopic Mass | 241.949g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number