3-(4-Fluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic Acid - CAS 1105193-80-3
Catalog: |
BB065368 |
Product Name: |
3-(4-Fluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic Acid |
CAS: |
1105193-80-3 |
Synonyms: |
3-(4-fluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid; 3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid |
IUPAC Name: | 3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid |
Molecular Weight: | 250.18 |
Molecular Formula: | C11H7FN2O4 |
Canonical SMILES: | C1=CC(=CC=C1N2C(=O)C(=CNC2=O)C(=O)O)F |
InChI: | InChI=1S/C11H7FN2O4/c12-6-1-3-7(4-2-6)14-9(15)8(10(16)17)5-13-11(14)18/h1-5H,(H,13,18)(H,16,17) |
InChI Key: | JTZSVYCKAYMNCT-UHFFFAOYSA-N |
Complexity: | 427 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.03898487 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.03898487 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 86.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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