5-[(4-Fluorophenoxy)methyl]isoxazole-3-carboxylic acid - CAS 932917-26-5
Catalog: |
BB064729 |
Product Name: |
5-[(4-Fluorophenoxy)methyl]isoxazole-3-carboxylic acid |
CAS: |
932917-26-5 |
Synonyms: |
5-[(4-fluorophenoxy)methyl]isoxazole-3-carboxylic acid; 5-[(4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid; 5-((4-Fluorophenoxy)methyl)isoxazole-3-carboxylic acid; 3-Isoxazolecarboxylic acid, 5-[(4-fluorophenoxy)methyl]- |
IUPAC Name: | 5-[(4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid |
Description: | 5-[(4-Fluorophenoxy)methyl]isoxazole-3-carboxylic acid |
Molecular Weight: | 237.18 |
Molecular Formula: | C11H8FNO4 |
Canonical SMILES: | C1=CC(=CC=C1OCC2=CC(=NO2)C(=O)O)F |
InChI: | InChI=1S/C11H8FNO4/c12-7-1-3-8(4-2-7)16-6-9-5-10(11(14)15)13-17-9/h1-5H,6H2,(H,14,15) |
InChI Key: | CDPLOXPSTMVOIU-UHFFFAOYSA-N |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.0437359 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.0437359 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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