| CAS Number | 1247475-08-6 |
| Catalog Number | AG01BF87(AGN-PC-0WOR7X) |
| Chemical Name | 5-(Chloromethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole |
| IUPAC Name | 5-(chloromethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole |
| InChI | InChI=1S/C10H8ClFN2O/c11-6-10-13-9(14-15-10)5-7-2-1-3-8(12)4-7/h1-4H,5-6H2 |
| InChI Key | HPLORSUCOXORLU-UHFFFAOYSA-N |
| MDL Number | MFCD14598987 |
| Molecular Formula | C10H8ClFN2O |
| Molecular Weight | 226.6347 |
| SMILES | FC1=CC(CC2N=C(CCl)ON=2)=CC=C1 |
| Synonyms | 5-(chloromethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole,
1247475-08-6,
STL097602,
ZINC40677294,
AKOS005351008,
MCULE-6122632543,
NE34173,
5-(chloromethyl)-3-(3-fluorobenzyl)-1,2,4-oxadiazole,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.635g/mol |
| Monoisotopic Mass | 226.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number