Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate - CAS 91393-16-7
Catalog: |
BB049732 |
Product Name: |
Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate |
CAS: |
91393-16-7 |
Synonyms: |
ethyl 3-p-tolyl-[1,2,4]oxadiazole-5-carboxylate; Ethyl 3-(P-Tolyl)-1,2,4-oxadiazole-5-carboxylate; 3-p-Tolyl-[1,2,4]oxadiazole-5-carboxylic acid ethyl ester |
IUPAC Name: | ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate |
Description: | Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate (CAS# 91393-16-7 ) is a useful research chemical. |
Molecular Weight: | 232.23 |
Molecular Formula: | C12H12N2O3 |
Canonical SMILES: | CCOC(=O)C1=NC(=NO1)C2=CC=C(C=C2)C |
InChI: | InChI=1S/C12H12N2O3/c1-3-16-12(15)11-13-10(14-17-11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 |
InChI Key: | SAISCYNZBKJQRO-UHFFFAOYSA-N |
Boiling Point: | 354.4±35.0 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.08479225 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.08479225 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 65.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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