1-(1-Ethoxyethyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde - CAS 1855891-59-6
Catalog: |
BB050918 |
Product Name: |
1-(1-Ethoxyethyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde |
CAS: |
1855891-59-6 |
Synonyms: |
1H-Pyrazole-5-carboxaldehyde, 1-(1-ethoxyethyl)-3-(4-fluorophenyl)- |
IUPAC Name: | 2-(1-ethoxyethyl)-5-(4-fluorophenyl)pyrazole-3-carbaldehyde |
Molecular Weight: | 262.28 |
Molecular Formula: | C14H15FN2O2 |
Canonical SMILES: | CCOC(C)N1C(=CC(=N1)C2=CC=C(C=C2)F)C=O |
InChI: | InChI=1S/C14H15FN2O2/c1-3-19-10(2)17-13(9-18)8-14(16-17)11-4-6-12(15)7-5-11/h4-10H,3H2,1-2H3 |
InChI Key: | OSYVQRAAIWZSTE-UHFFFAOYSA-N |
Boiling Point: | 383.4±42.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.18±0.1 g/cm3 (Predicted) |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.11175589 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.11175589 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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