| CAS Number | 1092280-36-8 |
| Catalog Number | AG019YKP(AGN-PC-0WO95J) |
| Chemical Name | 3-(chloromethyl)-5-[(2-methylphenyl)methyl]-1,2,4-oxadiazole |
| IUPAC Name | 3-(chloromethyl)-5-[(2-methylphenyl)methyl]-1,2,4-oxadiazole |
| InChI | InChI=1S/C11H11ClN2O/c1-8-4-2-3-5-9(8)6-11-13-10(7-12)14-15-11/h2-5H,6-7H2,1H3 |
| InChI Key | BDGVQIWESRFYEE-UHFFFAOYSA-N |
| MDL Number | MFCD10690829 |
| Molecular Formula | C11H11ClN2O |
| Molecular Weight | 222.6708 |
| SMILES | CC1=C(CC2ON=C(CCl)N=2)C=CC=C1 |
| Synonyms | 1092280-36-8,
3-(chloromethyl)-5-[(2-methylphenyl)methyl]-1,2,4-oxadiazole,
3-(chloromethyl)-5-(2-methylbenzyl)-1,2,4-oxadiazole,
BBL019612,
MFCD10690829,
STL193379,
ZINC26514912,
AKOS009253278,
MCULE-7293965675,
H5365,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.672g/mol |
| Monoisotopic Mass | 222.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number