| CAS Number | 1956356-00-5 |
| Catalog Number | AG01DIEK |
| Chemical Name | 3-([1,1'-Biphenyl]-2-yl)-5-(chloromethyl)-1,2,4-oxadiazole |
| IUPAC Name | 5-(chloromethyl)-3-(2-phenylphenyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C15H11ClN2O/c16-10-14-17-15(18-19-14)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2 |
| InChI Key | TWDBLDOENGSXMS-UHFFFAOYSA-N |
| MDL Number | MFCD28390301 |
| Molecular Formula | C15H11ClN2O |
| Molecular Weight | 270.7136 |
| SMILES | ClCc1onc(n1)c1ccccc1c1ccccc1 |
| Synonyms | 3-([1,1'-Biphenyl]-2-yl)-5-(chloromethyl)-1,2,4-oxadiazole,
1956356-00-5,
MFCD28390301,
ZINC96032028,
3-([1,1-BIPHENYL]-2-YL)-5-(CHLOROMETHYL)-1,2,4-OXADIAZOLE,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.716g/mol |
| Monoisotopic Mass | 270.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number