| CAS Number | 1401521-92-3 |
| Catalog Number | AG00HVRE(AGN-PC-0WCM6I) |
| Chemical Name | Ethyl 5-(3-nitrophenyl)-1,3,4-oxadiazole-2-carboxylate |
| IUPAC Name | ethyl 5-(3-nitrophenyl)-1,3,4-oxadiazole-2-carboxylate |
| InChI | InChI=1S/C11H9N3O5/c1-2-18-11(15)10-13-12-9(19-10)7-4-3-5-8(6-7)14(16)17/h3-6H,2H2,1H3 |
| InChI Key | QGSJPSGGSCHNRY-UHFFFAOYSA-N |
| MDL Number | MFCD22573506 |
| Molecular Formula | C11H9N3O5 |
| Molecular Weight | 263.2063 |
| SMILES | O=[N+]([O-])C2(=CC(C=1(OC(C(=O)OCC)=NN=1))=CC=C2) |
| Synonyms | 1401521-92-3,
5-(3-Nitro-phenyl)-[1,3,4]oxadiazole-2-carboxylic acid ethyl ester,
ethyl 5-(3-nitrophenyl)-1,3,4-oxadiazole-2-carboxylate,
ZX-RL004358,
MFCD22573506,
ZINC91696017,
AKOS025392389,
IMED685649623,
AS-5351,
OR300598,
CS-0047074,
Ethyl 5-[3-(nitrophenyl)]-1,3,4-oxadiazole-2-carboxylate,
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| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.209g/mol |
| Monoisotopic Mass | 263.054g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number