| CAS Number | 89898-92-0 |
| Catalog Number | AG00IFVL(AGN-PC-0WOK1M) |
| Chemical Name | 2-(2-Nitrophenyl)-1,3,4-oxadiazole |
| IUPAC Name | 2-(2-nitrophenyl)-1,3,4-oxadiazole |
| InChI | InChI=1S/C8H5N3O3/c12-11(13)7-4-2-1-3-6(7)8-10-9-5-14-8/h1-5H |
| InChI Key | WXKRXSFMMMXAKR-UHFFFAOYSA-N |
| MDL Number | MFCD09755523 |
| Molecular Formula | C8H5N3O3 |
| Molecular Weight | 191.1436 |
| SMILES | [O-][N+](=O)c1ccccc1c1nnco1 |
| Synonyms | 2-(2-nitrophenyl)-1,3,4-oxadiazole,
89898-92-0,
SCHEMBL10549607,
SBB018816,
STK523242,
ZINC14988029,
AKOS005455636,
MCULE-8834118818,
ST4145719,
1,3,4-OXADIAZOLE,2- -,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.146g/mol |
| Monoisotopic Mass | 191.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number