Ethyl 4-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoate - CAS 1166756-79-1
Catalog: |
BB003788 |
Product Name: |
Ethyl 4-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoate |
CAS: |
1166756-79-1 |
Synonyms: |
4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoic acid ethyl ester; ethyl 4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate |
IUPAC Name: | ethyl 4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate |
Description: | Ethyl 4-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoate (CAS# 1166756-79-1 ) is a useful research chemical. |
Molecular Weight: | 246.26 |
Molecular Formula: | C13H14N2O3 |
Canonical SMILES: | CCC1=NC(=NO1)C2=CC=C(C=C2)C(=O)OCC |
InChI: | InChI=1S/C13H14N2O3/c1-3-11-14-12(15-18-11)9-5-7-10(8-6-9)13(16)17-4-2/h5-8H,3-4H2,1-2H3 |
InChI Key: | RXBBQPDZTKGQBD-UHFFFAOYSA-N |
LogP: | 2.47570 |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.10044231 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.10044231 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 65.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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