7-Fluoro-6-methoxy-3H-quinazolin-4-one - CAS 869475-52-5
Catalog: |
BB064875 |
Product Name: |
7-Fluoro-6-methoxy-3H-quinazolin-4-one |
CAS: |
869475-52-5 |
Synonyms: |
7-FLUORO-6-METHOXY-1H-QUINAZOLIN-4-ONE; 7-Fluoro-6-methoxy-3H-quinazolin-4-one; 7-Fluoro-6-methoxy-3,4-dihydroquinazolin-4-one; 7-FLUORO-6-METHOXY-1,4-DIHYDROQUINAZOLIN-4-ONE; 7-Fluoro-6-methoxyquinazolin-4-ol |
IUPAC Name: | 7-fluoro-6-methoxy-3H-quinazolin-4-one |
Description: | 7-Fluoro-6-methoxy-3H-quinazolin-4-one |
Molecular Weight: | 194.16 |
Molecular Formula: | C9H7FN2O2 |
Canonical SMILES: | COC1=C(C=C2C(=C1)C(=O)NC=N2)F |
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 |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.04915563 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.04915563 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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