| CAS Number | 1092114-27-6 |
| Catalog Number | AG00HBAX(AGN-PC-0WRAEP) |
| Chemical Name | 5-(2-Iodophenyl)-1,3,4-oxadiazol-2(3H)-one |
| IUPAC Name | 5-(2-iodophenyl)-3H-1,3,4-oxadiazol-2-one |
| InChI | InChI=1S/C8H5IN2O2/c9-6-4-2-1-3-5(6)7-10-11-8(12)13-7/h1-4H,(H,11,12) |
| InChI Key | LGXIRBYXOKRIKG-UHFFFAOYSA-N |
| MDL Number | MFCD19673331 |
| Molecular Formula | C8H5IN2O2 |
| Molecular Weight | 288.0420 |
| SMILES | Ic1ccccc1c1n[nH]c(=O)o1 |
| Synonyms | 5-(2-Iodophenyl)-1,3,4-oxadiazol-2(3H)-one,
1092114-27-6,
ODC100772,
ZINC70030568,
AKOS013512776,
5-(2-iodophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-one,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.044g/mol |
| Monoisotopic Mass | 287.94g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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