| CAS Number | 1154704-31-0 |
| Catalog Number | AG00HD03 |
| Chemical Name | 4-[5-(2-Chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline |
| IUPAC Name | 4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline |
| InChI | InChI=1S/C14H10ClN3O/c15-12-4-2-1-3-11(12)14-17-13(18-19-14)9-5-7-10(16)8-6-9/h1-8H,16H2 |
| InChI Key | NLNQGBJFOKQUTC-UHFFFAOYSA-N |
| MDL Number | MFCD12679197 |
| Molecular Formula | C4H9O8P |
| Molecular Weight | 216.0832 |
| SMILES | Nc1ccc(cc1)c1noc(n1)c1ccccc1Cl |
| Synonyms | 4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline,
1154704-31-0,
SCHEMBL16592770,
MFCD12679197,
ZINC35696791,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.704g/mol |
| Monoisotopic Mass | 271.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Lot Number