| CAS Number | 1309875-09-9 |
| Catalog Number | AG000V7D(AGN-PC-0WB2IG) |
| Chemical Name | 2-Ethyl-5-(4-formylphenyl)-1,3,4-oxadiazole |
| IUPAC Name | 4-(5-ethyl-1,3,4-oxadiazol-2-yl)benzaldehyde |
| InChI | InChI=1S/C11H10N2O2/c1-2-10-12-13-11(15-10)9-5-3-8(7-14)4-6-9/h3-7H,2H2,1H3 |
| InChI Key | GOCQSPCAXCEKNX-UHFFFAOYSA-N |
| MDL Number | MFCD19104824 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.2093 |
| SMILES | O=CC2(=CC=C(C=1(OC(CC)=NN=1))C=C2) |
| Synonyms | 4-(5-ethyl-1,3,4-oxadiazol-2-yl)benzaldehyde,
1309875-09-9,
2-Ethyl-5-(4-formylphenyl)-1,3,4-oxadiazole,
SCHEMBL2389419,
KS-00002ACR,
GOCQSPCAXCEKNX-UHFFFAOYSA-N,
ZX-AT002181,
MFCD19104824,
ZINC71789964,
AKOS026675506,
OR42226,
PS-5104,
K-4077,
Benzaldehyde, 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.213g/mol |
| Monoisotopic Mass | 202.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number