| CAS Number | 10364-69-9 |
| Catalog Number | AG003MQ5(AGN-PC-07XTWC) |
| Chemical Name | 5-Ethyl-3-(3-nitrophenyl)-1,2,4-oxadiazole |
| IUPAC Name | 5-ethyl-3-(3-nitrophenyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C10H9N3O3/c1-2-9-11-10(12-16-9)7-4-3-5-8(6-7)13(14)15/h3-6H,2H2,1H3 |
| InChI Key | MPQWRVZHBRBTEK-UHFFFAOYSA-N |
| MDL Number | MFCD10699665 |
| Molecular Formula | C10H9N3O3 |
| Molecular Weight | 219.1968 |
| SMILES | CCc1onc(n1)c1cccc(c1)[N+](=O)[O-] |
| Synonyms | 5-Ethyl-3-(3-nitrophenyl)-1,2,4-oxadiazole,
10364-69-9,
ACMC-1BTX5,
SCHEMBL14541674,
CTK4A2289,
DTXSID80674501,
ANW-14944,
MFCD10699665,
ZINC38537048,
AKOS015838580,
AJ-95833,
CJ-19338,
TR-000850,
Z6679,
A-4288,
I14-25105,
C10H9N3O3,
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| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.2g/mol |
| Monoisotopic Mass | 219.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number