| CAS Number | 1564917-02-7 |
| Catalog Number | AG01C5A0 |
| Chemical Name | 5-bromo-8-fluoroquinazolin-4(3h)-one |
| IUPAC Name | 5-bromo-8-fluoro-3H-quinazolin-4-one |
| InChI | InChI=1S/C8H4BrFN2O/c9-4-1-2-5(10)7-6(4)8(13)12-3-11-7/h1-3H,(H,11,12,13) |
| InChI Key | KJKYJJRBYPEFPB-UHFFFAOYSA-N |
| MDL Number | MFCD29763348 |
| Molecular Formula | C8H4BrFN2O |
| Molecular Weight | 243.0326 |
| SMILES | FC1=C2C(C(NC=N2)=O)=C(Br)C=C1 |
| Synonyms | 5-Bromo-8-fluoroquinazolin-4(3H)-one,
1564917-02-7,
5-bromo-8-fluoro-3,4-dihydroquinazolin-4-one,
ZINC160091420,
AS-41197,
|
| 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