| CAS Number | 73217-34-2 |
| Catalog Number | AG019ZZ7(AGN-PC-0WO8JX) |
| Chemical Name | 3-(Chloromethyl)-5-(2-methylphenyl)-1,2,4-oxadiazole |
| IUPAC Name | 3-(chloromethyl)-5-(2-methylphenyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C10H9ClN2O/c1-7-4-2-3-5-8(7)10-12-9(6-11)13-14-10/h2-5H,6H2,1H3 |
| InChI Key | IHFBPVISJMSYSI-UHFFFAOYSA-N |
| MDL Number | MFCD08442854 |
| Molecular Formula | C10H9ClN2O |
| Molecular Weight | 208.6443 |
| SMILES | CC1=C(C2ON=C(CCl)N=2)C=CC=C1 |
| Synonyms | 3-(chloromethyl)-5-(2-methylphenyl)-1,2,4-oxadiazole,
73217-34-2,
CTK6H7131,
STL097608,
ZINC21952216,
AKOS000125527,
MCULE-9034279790,
NE32373,
RP26466,
3-(chloromethyl)-5-o-tolyl-1,2,4-oxadiazole,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.645g/mol |
| Monoisotopic Mass | 208.04g/mol |
| Rotatable Bond Count | 2 |
| 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