| CAS Number | 950577-02-3 |
| Catalog Number | AG00IIP8(AGN-PC-0WOC0U) |
| Chemical Name | 6-Bromo-7-Fluoroquinazolin-4-Ol |
| IUPAC Name | 6-bromo-7-fluoro-3H-quinazolin-4-one |
| InChI | InChI=1S/C8H4BrFN2O/c9-5-1-4-7(2-6(5)10)11-3-12-8(4)13/h1-3H,(H,11,12,13) |
| InChI Key | KBQBBYPXSOKJEI-UHFFFAOYSA-N |
| MDL Number | MFCD09907649 |
| Molecular Formula | C8H4BrFN2O |
| Molecular Weight | 243.0326 |
| SMILES | Brc1cc2c(cc1F)ncnc2O |
| Synonyms | 6-BROMO-7-FLUOROQUINAZOLIN-4-OL,
950577-02-3,
SCHEMBL2621722,
SCHEMBL15971471,
DTXSID30701513,
KBQBBYPXSOKJEI-UHFFFAOYSA-N,
KM3323,
MFCD09907649,
ZINC74938069,
AKOS026729947,
AKOS032947406,
QC-7956,
6-Bromo-7-fluoro-4(3H)-quinazolinone,
6-Bromo-7-fluoroquinazolin-4(1H)-one,
6-bromo-7-fluoroquinazoline-4(3H)-one,
AB0097087,
4CH-004213,
F8881-4433,
C3160,
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| 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
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Certificate of Analysis
Lot Number