3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxaldehyde - CAS 869496-66-2
Catalog: |
BB038136 |
Product Name: |
3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxaldehyde |
CAS: |
869496-66-2 |
Synonyms: |
3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbaldehyde |
IUPAC Name: | 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbaldehyde |
Description: | 3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxaldehyde (CAS# 869496-66-2) is a useful research chemical. |
Molecular Weight: | 205.19 |
Molecular Formula: | C11H8FNO2 |
Canonical SMILES: | CC1=C(C(=NO1)C2=CC=C(C=C2)F)C=O |
InChI: | InChI=1S/C11H8FNO2/c1-7-10(6-14)11(13-15-7)8-2-4-9(12)5-3-8/h2-6H,1H3 |
InChI Key: | GKFSKVZRERHBQP-UHFFFAOYSA-N |
Appearance: | White to tan solid |
MDL: | MFCD11656172 |
LogP: | 2.60160 |
Publication Number | Title | Priority Date |
AU-2010244552-A1 | Isoxazole-pyrazole derivatives | 20090505 |
CA-2760746-A1 | Isoxazole-pyrazole derivatives | 20090505 |
CA-2760746-C | Isoxazole-pyrazole derivatives | 20090505 |
EP-2427455-A1 | Isoxazole-pyrazole derivatives | 20090505 |
EP-2427455-B1 | Isoxazole-pyrazole derivatives | 20090505 |
PMID | Publication Date | Title | Journal |
15932909 | 20050801 | Discovery of substituted isoxazolecarbaldehydes as potent spermicides, acrosin inhibitors and mild anti-fungal agents | Human reproduction (Oxford, England) |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.05390666 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.05390666 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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