| CAS Number | 869475-52-5 |
| Catalog Number | AG00IE9R(AGN-PC-0ALJ3R) |
| Chemical Name | 7-fluoro-6-methoxy-3H-quinazolin-4-one |
| IUPAC Name | 7-fluoro-6-methoxy-3H-quinazolin-4-one |
| InChI | InChI=1S/C9H7FN2O2/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 | FKPZPNBUKLAYAF-UHFFFAOYSA-N |
| MDL Number | MFCD08460970 |
| Molecular Formula | C9H7FN2O2 |
| Molecular Weight | 194.1625 |
| SMILES | COC1=C(F)C=C2C(C(N=CN2)=O)=C1 |
| Synonyms | 869475-52-5,
7-FLUORO-6-METHOXY-1H-QUINAZOLIN-4-ONE,
7-Fluoro-6-methoxy-3H-quinazolin-4-one,
MFCD23105805,
ZINC95707261,
AKOS006288018,
AKOS026729015,
PB11844,
CS-0055134,
Y2890,
Q-2616,
7-Fluoro-6-methoxy-3,4-dihydroquinazolin-4-one,
C9H7FN2O2,
7-FLUORO-6-METHOXY-1,4-DIHYDROQUINAZOLIN-4-ONE,
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| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.165g/mol |
| Monoisotopic Mass | 194.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number