Methyl 3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoate - CAS 1092566-65-8
Catalog: |
BB002422 |
Product Name: |
Methyl 3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoate |
CAS: |
1092566-65-8 |
Synonyms: |
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid methyl ester; methyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate |
IUPAC Name: | methyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate |
Description: | Methyl 3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoate (CAS# 1092566-65-8 ) is a useful research chemical. |
Molecular Weight: | 218.21 |
Molecular Formula: | C11H10N2O3 |
Canonical SMILES: | CC1=NC(=NO1)C2=CC(=CC=C2)C(=O)OC |
InChI: | InChI=1S/C11H10N2O3/c1-7-12-10(13-16-7)8-4-3-5-9(6-8)11(14)15-2/h3-6H,1-2H3 |
InChI Key: | IVFSZJJJGABDMJ-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 ℃ |
LogP: | 1.83160 |
Publication Number | Title | Priority Date |
AU-2009336847-A1 | Benzothiazolone derivative | 20090107 |
AU-2009336847-B2 | Benzothiazolone derivative | 20090107 |
AU-2009336852-A1 | Pyridazinone derivatives | 20090107 |
AU-2009336852-B2 | Pyridazinone derivatives | 20090107 |
CA-2748908-A1 | Benzothiazolone derivatives | 20090107 |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.06914219 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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