| CAS Number | 1061672-63-6 |
| Catalog Number | AG009N5U(AGN-PC-0WB2KV) |
| Chemical Name | 2-(But-1-yl)-5-(4-formylphenyl)-1,3,4-oxadiazole |
| IUPAC Name | 4-(5-butyl-1,3,4-oxadiazol-2-yl)benzaldehyde |
| InChI | InChI=1S/C13H14N2O2/c1-2-3-4-12-14-15-13(17-12)11-7-5-10(9-16)6-8-11/h5-9H,2-4H2,1H3 |
| InChI Key | VKYAZDXRAUCPES-UHFFFAOYSA-N |
| MDL Number | MFCD18909698 |
| Molecular Formula | C13H14N2O2 |
| Molecular Weight | 230.2625 |
| SMILES | O=CC2(=CC=C(C=1(OC(CCCC)=NN=1))C=C2) |
| Synonyms | 1061672-63-6,
2-(But-1-yl)-5-(4-formylphenyl)-1,3,4-oxadiazole,
4-[5-(But-1-yl)-1,3,4-oxadiazol-2-yl]benzaldehyde,
4-(5-butyl-1,3,4-oxadiazol-2-yl)benzaldehyde,
KS-00002ASL,
ZX-AT002182,
MFCD18909698,
ZINC71789966,
AKOS025393507,
OR42228,
PS-7717,
K-0525,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.267g/mol |
| Monoisotopic Mass | 230.106g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number