3-(2-Fluorophenyl)isoxazole-5-carboxylic acid - CAS 842973-74-4
Catalog: |
BB050104 |
Product Name: |
3-(2-Fluorophenyl)isoxazole-5-carboxylic acid |
CAS: |
842973-74-4 |
Synonyms: |
3-(2-Fluoro-phenyl)-isoxazole-5-carboxylic acid; 5-isoxazolecarboxylic acid, 3-(2-fluorophenyl)-; 3-(2-fluorophenyl)-5-isoxazolecarboxylic acid |
IUPAC Name: | 3-(2-fluorophenyl)-1,2-oxazole-5-carboxylic acid |
Description: | 3-(2-Fluorophenyl)isoxazole-5-carboxylic acid (CAS# 842973-74-4 ) is a useful research chemical. |
Molecular Weight: | 207.16 |
Molecular Formula: | C10H6FNO3 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=NOC(=C2)C(=O)O)F |
InChI: | InChI=1S/C10H6FNO3/c11-7-4-2-1-3-6(7)8-5-9(10(13)14)15-12-8/h1-5H,(H,13,14) |
InChI Key: | BNNODLZYXWQEES-UHFFFAOYSA-N |
Boiling Point: | 421.5±35.0 °C (Predicted) |
Purity: | ≥ 95 % |
Density: | 1.404±0.06 g/cm3 (Predicted) |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.03317122 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.03317122 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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